N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
TL;DR: N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 321533-93-1) is a chemical compound with molecular formula C9H9ClF3N3O and molecular weight 267.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-methyl-N-prop-2-enyl-3-(trifluoromethyl)pyrazole-4-carboxamide
Also Known As: N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide, 5-chloro-1-methyl-N-prop-2-enyl-3-(trifluoromethyl)pyrazole-4-carboxamide, 5-chloro-1-methyl-N-(prop-2-en-1-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide, N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide, 5-chloro-1-methyl-N-prop-2-enyl-3-(trifluoromethyl)-4-pyrazolecarboxamide
| Molecular Formula | C9H9ClF3N3O |
|---|---|
| Molecular Weight | 267.04 g/mol |
| LogP | 2.0081 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.03864 |
| Heavy Atoms | 17 |
| Complexity | 453.07394 |
Chemical Identifiers
| CAS Number | 321533-93-1 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C(=O)NCC=C)Cl |
Product Overview
N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 321533-93-1), with molecular formula C9H9ClF3N3O and molecular weight 267.04 g/mol. IUPAC: 5-chloro-1-methyl-N-prop-2-enyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
Chemical Property Profile of N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
Property Insights of N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
The XLogP value of 2.0081 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide. With a topological polar surface area (TPSA) of 46.92 Ų, N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-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-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The CAS number of N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is 321533-93-1.
What is the molecular formula of N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The molecular formula of N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is C9H9ClF3N3O.
What is the molecular weight of N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The molecular weight of N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is 267.04 g/mol.
Where can I buy N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
You can request a quote for N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.