N-(tert-butyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide
TL;DR: N-(tert-butyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide (CAS 321553-12-2) is a chemical compound with molecular formula C16H22N4O and molecular weight 286.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-3-(dimethylamino)-4-phenylpyrazole-1-carboxamide
Also Known As: Bionet2_000183, N-(tert-butyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide, 3B-070, N-tert-butyl-3-(dimethylamino)-4-phenylpyrazole-1-carboxamide, N-tert-butyl-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide
| Molecular Formula | C16H22N4O |
|---|---|
| Molecular Weight | 286.18 g/mol |
| LogP | 2.9723 |
| Topological Polar Surface Area | 50.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.17935 |
| Heavy Atoms | 21 |
| Complexity | 623.4717 |
Chemical Identifiers
| CAS Number | 321553-12-2 |
|---|---|
| SMILES | CC(C)(C)NC(=O)N1C=C(C(=N1)N(C)C)C2=CC=CC=C2 |
Product Overview
N-(tert-butyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide (CAS 321553-12-2), with molecular formula C16H22N4O and molecular weight 286.18 g/mol. IUPAC: N-tert-butyl-3-(dimethylamino)-4-phenylpyrazole-1-carboxamide.
Chemical Property Profile of N-(tert-butyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide
Property Insights of N-(tert-butyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide
The XLogP value of 2.9723 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(tert-butyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide. With a topological polar surface area (TPSA) of 50.16 Ų, N-(tert-butyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(tert-butyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(tert-butyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide?
The CAS number of N-(tert-butyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide is 321553-12-2.
What is the molecular formula of N-(tert-butyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide?
The molecular formula of N-(tert-butyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide is C16H22N4O.
What is the molecular weight of N-(tert-butyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide?
The molecular weight of N-(tert-butyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide is 286.18 g/mol.
Where can I buy N-(tert-butyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide?
You can request a quote for N-(tert-butyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(tert-butyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-butyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.