methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1H-pyrazole-4-carboxylate
TL;DR: methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1H-pyrazole-4-carboxylate (CAS 99832-88-9) is a chemical compound with molecular formula C19H18ClN3O3 and molecular weight 371.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoyl)-3H-pyrazole-4-carboxylate
Also Known As: methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1H-pyrazole-4-carboxylate, Methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-5H-pyrazole-4-carboxylate, methyl 5-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoyl)-3H-pyrazole-4-carboxylate, 3-(4-Chlorophenyl)-4-(methoxycarbonyl)-4-methyl-N-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidic acid, 3-(4-Chlorophenyl)-4-methyl-4,5-dihydro-1-(phenylaminocarbonyl)-1H-pyrazole-4-carboxylic acid methyl ester
| Molecular Formula | C19H18ClN3O3 |
|---|---|
| Molecular Weight | 371.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.10367 |
| Heavy Atoms | 26 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 99832-88-9 |
|---|---|
| SMILES | CC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3)C(=O)OC |
| InChIKey | FRYIMQANZKVQLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1H-pyrazole-4-carboxylate (CAS 99832-88-9), with molecular formula C19H18ClN3O3 and molecular weight 371.10 g/mol. IUPAC: methyl 5-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoyl)-3H-pyrazole-4-carboxylate.
Chemical Property Profile of methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1H-pyrazole-4-carboxylate
Property Insights of methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1H-pyrazole-4-carboxylate
The XLogP value of 3.7 indicates that methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1H-pyrazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1H-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
Frequently Asked Questions
What is the CAS number of methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1H-pyrazole-4-carboxylate?
The CAS number of methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1H-pyrazole-4-carboxylate is 99832-88-9.
What is the molecular formula of methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1H-pyrazole-4-carboxylate?
The molecular formula of methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1H-pyrazole-4-carboxylate is C19H18ClN3O3.
What is the molecular weight of methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1H-pyrazole-4-carboxylate?
The molecular weight of methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1H-pyrazole-4-carboxylate is 371.10 g/mol.
Where can I buy methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1H-pyrazole-4-carboxylate?
You can request a quote for methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(4-chlorophenyl)-4-methyl-1-(phenylcarbamoyl)-4,5-dihydro-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.