N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
TL;DR: N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide (CAS 515174-64-8) is a chemical compound with molecular formula C12H11F2N3O and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-difluorophenyl)-2-ethylpyrazole-3-carboxamide
Also Known As: N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide, N-(3,4-difluorophenyl)-2-ethylpyrazole-3-carboxamide, N-(3,4-difluorophenyl)(1-ethylpyrazol-5-yl)carboxamide, A3679/0156020, 1H-Pyrazole-5-carboxamide, N-(3,4-difluorophenyl)-1-ethyl- (9CI)
| Molecular Formula | C12H11F2N3O |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 2.4335 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.08702 |
| Heavy Atoms | 18 |
| Complexity | 580.45154 |
Chemical Identifiers
| CAS Number | 515174-64-8 |
|---|---|
| SMILES | CCN1C(=CC=N1)C(=O)NC2=CC(=C(C=C2)F)F |
Product Overview
N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide (CAS 515174-64-8), with molecular formula C12H11F2N3O and molecular weight 251.09 g/mol. IUPAC: N-(3,4-difluorophenyl)-2-ethylpyrazole-3-carboxamide.
Chemical Property Profile of N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
Property Insights of N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
The XLogP value of 2.4335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide. With a topological polar surface area (TPSA) of 46.92 Ų, N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide has 1 hydrogen bond donor(s) and 2 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-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide?
The CAS number of N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide is 515174-64-8.
What is the molecular formula of N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide?
The molecular formula of N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide is C12H11F2N3O.
What is the molecular weight of N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide?
The molecular weight of N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide is 251.09 g/mol.
Where can I buy N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide?
You can request a quote for N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.