Methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate
TL;DR: Methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate (CAS 103053-21-0) is a chemical compound with molecular formula C12H10ClN3O3 and molecular weight 279.04108 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate
Also Known As: Methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylic acid, 5-(aminocarbonyl)-1-(3-chlorophenyl)-, methyl ester, 1H-Pyrazole-4-carboxylicacid, 5-(aminocarbonyl)-1-(3-chlorophenyl)-, methyl ester, Methyl 5-carbamoyl-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylate, 5-(aminocarbonyl)-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylic acid,methyl ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H10ClN3O3 |
| Molecular Weight | 279.04108 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 87.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.04108 Da |
| Heavy Atoms | 19 |
| Complexity | 366.0 |
| SMILES | COC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)Cl)C(=O)N |
| InChIKey | NPQMWAIOIBCSQY-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate
Property Insights of Methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate. Following Lipinski's Rule of Five, Methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate 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
What is the CAS number of Methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate?
The CAS number of Methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate is 103053-21-0.
What is the molecular formula of Methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate?
The molecular formula of Methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate is C12H10ClN3O3.
What is the molecular weight of Methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate?
The molecular weight of Methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate is 279.04108 g/mol.
Where can I buy Methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate?
You can request a quote for Methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 5-carbamoyl-1-(3-chlorophenyl)pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.