N-allyl-4-chloro-1-(4-methylphenyl)-1H-pyrazole-5-carboxamide
TL;DR: N-allyl-4-chloro-1-(4-methylphenyl)-1H-pyrazole-5-carboxamide (CAS 318949-26-7) is a chemical compound with molecular formula C14H14ClN3O and molecular weight 275.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-(4-methylphenyl)-N-prop-2-enylpyrazole-5-carboxamide
Also Known As: N-allyl-4-chloro-1-(4-methylphenyl)-1H-pyrazole-5-carboxamide, N-allyl-4-chloro-2-(p-tolyl)pyrazole-3-carboxamide, 4-chloro-1-(4-methylphenyl)-N-(prop-2-en-1-yl)-1H-pyrazole-5-carboxamide, 4-chloro-2-(4-methylphenyl)-N-prop-2-enylpyrazole-3-carboxamide, 4-chloro-2-(4-methylphenyl)-N-prop-2-enyl-pyrazole-3-carboxamide
| Molecular Formula | C14H14ClN3O |
|---|---|
| Molecular Weight | 275.08 g/mol |
| LogP | 2.74992 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.08255 |
| Heavy Atoms | 19 |
| Complexity | 601.6537 |
Chemical Identifiers
| CAS Number | 318949-26-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=C(C=N2)Cl)C(=O)NCC=C |
Product Overview
N-allyl-4-chloro-1-(4-methylphenyl)-1H-pyrazole-5-carboxamide (CAS 318949-26-7), with molecular formula C14H14ClN3O and molecular weight 275.08 g/mol. IUPAC: 4-chloro-1-(4-methylphenyl)-N-prop-2-enylpyrazole-5-carboxamide.
Chemical Property Profile of N-allyl-4-chloro-1-(4-methylphenyl)-1H-pyrazole-5-carboxamide
Property Insights of N-allyl-4-chloro-1-(4-methylphenyl)-1H-pyrazole-5-carboxamide
The XLogP value of 2.74992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-allyl-4-chloro-1-(4-methylphenyl)-1H-pyrazole-5-carboxamide. With a topological polar surface area (TPSA) of 46.92 Ų, N-allyl-4-chloro-1-(4-methylphenyl)-1H-pyrazole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-4-chloro-1-(4-methylphenyl)-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-allyl-4-chloro-1-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The CAS number of N-allyl-4-chloro-1-(4-methylphenyl)-1H-pyrazole-5-carboxamide is 318949-26-7.
What is the molecular formula of N-allyl-4-chloro-1-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The molecular formula of N-allyl-4-chloro-1-(4-methylphenyl)-1H-pyrazole-5-carboxamide is C14H14ClN3O.
What is the molecular weight of N-allyl-4-chloro-1-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The molecular weight of N-allyl-4-chloro-1-(4-methylphenyl)-1H-pyrazole-5-carboxamide is 275.08 g/mol.
Where can I buy N-allyl-4-chloro-1-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
You can request a quote for N-allyl-4-chloro-1-(4-methylphenyl)-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-allyl-4-chloro-1-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-4-chloro-1-(4-methylphenyl)-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.