![[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone structure](/static/products/848/848429-23-2.png)
[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone
TL;DR: [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone (CAS 848429-23-2) is a chemical compound with molecular formula C21H22BrClF3N5O and molecular weight 531.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
Also Known As: [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone, 5-(4-bromophenyl)-3-chloro-2-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine, (5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl)(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone, 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone, 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
| Molecular Formula | C21H22BrClF3N5O |
|---|---|
| Molecular Weight | 531.06 g/mol |
| LogP | 4.8795 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 531.0648 |
| Heavy Atoms | 32 |
| Complexity | 1027.6779 |
Chemical Identifiers
| CAS Number | 848429-23-2 |
|---|---|
| SMILES | C1CC2CN(CCN2C1)C(=O)C3=NN4C(CC(NC4=C3Cl)C5=CC=C(C=C5)Br)C(F)(F)F |
Product Overview
[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone (CAS 848429-23-2), with molecular formula C21H22BrClF3N5O and molecular weight 531.06 g/mol. IUPAC: 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone.
Chemical Property Profile of [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone
Property Insights of [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone
The XLogP value of 4.8795 indicates that [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.4 Ų, [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone?
The CAS number of [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone is 848429-23-2.
What is the molecular formula of [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone?
The molecular formula of [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone is C21H22BrClF3N5O.
What is the molecular weight of [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone?
The molecular weight of [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone is 531.06 g/mol.
Where can I buy [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone?
You can request a quote for [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.