benzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate
TL;DR: benzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate (CAS 957041-13-3) is a chemical compound with molecular formula C13H14ClN3O2 and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate
Also Known As: benzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate, benzyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate, benzyl N-(5-chloro-1,3-dimethyl-pyrazol-4-yl)carbamate, benzylN-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate, Carbamic acid, N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)-, phenylmethyl ester
| Molecular Formula | C13H14ClN3O2 |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 3.13062 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.07745 |
| Heavy Atoms | 19 |
| Complexity | 581.0743 |
Chemical Identifiers
| CAS Number | 957041-13-3 |
|---|---|
| SMILES | CC1=NN(C(=C1NC(=O)OCC2=CC=CC=C2)Cl)C |
Product Overview
benzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate (CAS 957041-13-3), with molecular formula C13H14ClN3O2 and molecular weight 279.08 g/mol. IUPAC: benzyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate.
Chemical Property Profile of benzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate
Property Insights of benzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate
The XLogP value of 3.13062 indicates that benzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, benzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate has 1 hydrogen bond donor(s) and 3 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 benzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate?
The CAS number of benzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate is 957041-13-3.
What is the molecular formula of benzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate?
The molecular formula of benzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate is C13H14ClN3O2.
What is the molecular weight of benzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate?
The molecular weight of benzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate is 279.08 g/mol.
Where can I buy benzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate?
You can request a quote for benzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.