N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
TL;DR: N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CAS 489451-95-8) is a chemical compound with molecular formula C28H29F3N6O3 and molecular weight 554.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C28H29F3N6O3 |
|---|---|
| Molecular Weight | 554.23 g/mol |
| LogP | 5.67454 |
| Topological Polar Surface Area | 95.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 554.22534 |
| Heavy Atoms | 40 |
| Complexity | 1530.2703 |
Chemical Identifiers
| CAS Number | 489451-95-8 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=NN4C(CC(NC4=C3)C5=CC(=C(C=C5)OC)OC)C(F)(F)F |
Product Overview
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CAS 489451-95-8), with molecular formula C28H29F3N6O3 and molecular weight 554.23 g/mol. IUPAC: N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Property Insights of N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
The XLogP value of 5.67454 indicates that N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide. Following Lipinski's Rule of Five, N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The CAS number of N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is 489451-95-8.
What is the molecular formula of N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The molecular formula of N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is C28H29F3N6O3.
What is the molecular weight of N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The molecular weight of N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is 554.23 g/mol.
Where can I buy N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
You can request a quote for N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.