3-Carbamoyl-1-(3-chlorophenyl)-5-methoxypyrazole
TL;DR: 3-Carbamoyl-1-(3-chlorophenyl)-5-methoxypyrazole (CAS 54708-52-0) is a chemical compound with molecular formula C11H10ClN3O2 and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-5-methoxypyrazole-3-carboxamide
Also Known As: 3-Carbamoyl-1-(3-chlorophenyl)-5-methoxypyrazole, 1-(3-Chlorophenyl)-5-methoxy-1H-pyrazole-3-carboxamide, 3-carbamoyl-1- -5-methoxypyrazole, 1-(3-chlorophenyl)-5-methoxypyrazole-3-carboxamide, 5-25-06-00209 (Beilstein Handbook Reference)
| Molecular Formula | C11H10ClN3O2 |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.04616 |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 54708-52-0 |
|---|---|
| SMILES | COC1=CC(=NN1C2=CC(=CC=C2)Cl)C(=O)N |
| InChIKey | YBOMUEOEXMFVBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Carbamoyl-1-(3-chlorophenyl)-5-methoxypyrazole (CAS 54708-52-0), with molecular formula C11H10ClN3O2 and molecular weight 251.05 g/mol. IUPAC: 1-(3-chlorophenyl)-5-methoxypyrazole-3-carboxamide.
Chemical Property Profile of 3-Carbamoyl-1-(3-chlorophenyl)-5-methoxypyrazole
Property Insights of 3-Carbamoyl-1-(3-chlorophenyl)-5-methoxypyrazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carbamoyl-1-(3-chlorophenyl)-5-methoxypyrazole. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carbamoyl-1-(3-chlorophenyl)-5-methoxypyrazole. Following Lipinski's Rule of Five, 3-Carbamoyl-1-(3-chlorophenyl)-5-methoxypyrazole 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 3-Carbamoyl-1-(3-chlorophenyl)-5-methoxypyrazole?
The CAS number of 3-Carbamoyl-1-(3-chlorophenyl)-5-methoxypyrazole is 54708-52-0.
What is the molecular formula of 3-Carbamoyl-1-(3-chlorophenyl)-5-methoxypyrazole?
The molecular formula of 3-Carbamoyl-1-(3-chlorophenyl)-5-methoxypyrazole is C11H10ClN3O2.
What is the molecular weight of 3-Carbamoyl-1-(3-chlorophenyl)-5-methoxypyrazole?
The molecular weight of 3-Carbamoyl-1-(3-chlorophenyl)-5-methoxypyrazole is 251.05 g/mol.
Where can I buy 3-Carbamoyl-1-(3-chlorophenyl)-5-methoxypyrazole?
You can request a quote for 3-Carbamoyl-1-(3-chlorophenyl)-5-methoxypyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carbamoyl-1-(3-chlorophenyl)-5-methoxypyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Carbamoyl-1-(3-chlorophenyl)-5-methoxypyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.