![N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide structure](/static/products/5148/514841-77-1.webp)
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
TL;DR: N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide (CAS 514841-77-1) is a chemical compound with molecular formula C18H14ClN3O3 and molecular weight 355.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
Also Known As: N-[1-(4-chlorobenzyl)-1H-pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide, N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide, 2H-benzo[3,4-d]1,3-dioxolan-5-yl-N-{1-[(4-chlorophenyl)methyl]pyrazol-4-yl}car boxamide, N-{1-[(4-CHLOROPHENYL)METHYL]PYRAZOL-4-YL}-2H-1,3-BENZODIOXOLE-5-CARBOXAMIDE
| Molecular Formula | C18H14ClN3O3 |
|---|---|
| Molecular Weight | 355.07 g/mol |
| LogP | 3.5658 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.07236 |
| Heavy Atoms | 25 |
| Complexity | 921.5707 |
Chemical Identifiers
| CAS Number | 514841-77-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CN(N=C3)CC4=CC=C(C=C4)Cl |
Product Overview
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide (CAS 514841-77-1), with molecular formula C18H14ClN3O3 and molecular weight 355.07 g/mol. IUPAC: N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
Property Insights of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
The XLogP value of 3.5658 indicates that N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-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-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide?
The CAS number of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide is 514841-77-1.
What is the molecular formula of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide is C18H14ClN3O3.
What is the molecular weight of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide is 355.07 g/mol.
Where can I buy N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-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-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.