![2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine structure](/static/products/4449/444905-06-0.webp)
2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
TL;DR: 2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CAS 444905-06-0) is a chemical compound with molecular formula C25H22BrClF3N5O2 and molecular weight 595.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]-phenylmethanone
Also Known As: 2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine, (4-benzoylpiperazin-1-yl)(5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl)methanone, (4-BENZOYLPIPERAZINO)[5-(4-BROMOPHENYL)-3-CHLORO-7-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDIN-2-YL]METHANONE, [4-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]-phenylmethanone, [4-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]-phenylmethanone
| Molecular Formula | C25H22BrClF3N5O2 |
|---|---|
| Molecular Weight | 595.06 g/mol |
| LogP | 5.5575 |
| Topological Polar Surface Area | 70.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 595.05975 |
| Heavy Atoms | 37 |
| Complexity | 1308.3566 |
Chemical Identifiers
| CAS Number | 444905-06-0 |
|---|---|
| SMILES | C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=NN4C(CC(NC4=C3Cl)C5=CC=C(C=C5)Br)C(F)(F)F |
Product Overview
2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CAS 444905-06-0), with molecular formula C25H22BrClF3N5O2 and molecular weight 595.06 g/mol. IUPAC: [4-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]-phenylmethanone.
Chemical Property Profile of 2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
Property Insights of 2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
The XLogP value of 5.5575 indicates that 2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine. Following Lipinski's Rule of Five, 2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine 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 2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The CAS number of 2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is 444905-06-0.
What is the molecular formula of 2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The molecular formula of 2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is C25H22BrClF3N5O2.
What is the molecular weight of 2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The molecular weight of 2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is 595.06 g/mol.
Where can I buy 2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
You can request a quote for 2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-benzoyl-1-piperazinyl)carbonyl]-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.