N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-2-methylpyrazole-3-carboxamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-2-methylpyrazole-3-carboxamide (CAS 957239-55-3) is a chemical compound with molecular formula C13H12ClN3O3 and molecular weight 293.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-1-methylpyrazole-5-carboxamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-2-methylpyrazole-3-carboxamide, N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)(4-chloro-1-methylpyrazol-5-yl)carbo xamide, N-[(2H-13-BENZODIOXOL-5-YL)METHYL]-4-CHLORO-1-METHYL-1H-PYRAZOLE-5-CARBOXAMIDE
| Molecular Formula | C13H12ClN3O3 |
|---|---|
| Molecular Weight | 293.06 g/mol |
| LogP | 1.7322 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.05673 |
| Heavy Atoms | 20 |
| Complexity | 649.37616 |
Chemical Identifiers
| CAS Number | 957239-55-3 |
|---|---|
| SMILES | CN1C(=C(C=N1)Cl)C(=O)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-2-methylpyrazole-3-carboxamide (CAS 957239-55-3), with molecular formula C13H12ClN3O3 and molecular weight 293.06 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-1-methylpyrazole-5-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-2-methylpyrazole-3-carboxamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-2-methylpyrazole-3-carboxamide
The XLogP value of 1.7322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-2-methylpyrazole-3-carboxamide. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-2-methylpyrazole-3-carboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-2-methylpyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 4 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-(1,3-benzodioxol-5-ylmethyl)-4-chloro-2-methylpyrazole-3-carboxamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-2-methylpyrazole-3-carboxamide is 957239-55-3.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-2-methylpyrazole-3-carboxamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-2-methylpyrazole-3-carboxamide is C13H12ClN3O3.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-2-methylpyrazole-3-carboxamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-2-methylpyrazole-3-carboxamide is 293.06 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-2-methylpyrazole-3-carboxamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-2-methylpyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-2-methylpyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-2-methylpyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.