methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate
TL;DR: methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate (CAS 10036-72-3) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate
Also Known As: methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate, methyl 1-acetyl-5,5-bis(4-methylphenyl)-4,5-dihydro-1h-pyrazole-3-carboxylate, methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carbox, 1H-Pyrazole-3-carboxylicacid, 1-acetyl-4,5-dihydro-5,5-bis(4-methylphenyl)-, methyl ester, 1-acetyl-5,5-di-p-tolyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 10036-72-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2(CC(=NN2C(=O)C)C(=O)OC)C3=CC=C(C=C3)C |
| InChIKey | QDVNZGNOWKYVIJ-UHFFFAOYSA-N |
Product Overview
methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate (CAS 10036-72-3), with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol. IUPAC: methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate.
Chemical Property Profile of methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate
Property Insights of methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate
The XLogP value of 3.2 indicates that methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate has 0 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 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate?
The CAS number of methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate is 10036-72-3.
What is the molecular formula of methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate?
The molecular formula of methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate is C21H22N2O3.
What is the molecular weight of methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate?
The molecular weight of methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate is 350.16 g/mol.
Where can I buy methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate?
You can request a quote for methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-acetyl-5,5-bis(4-methylphenyl)-4H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.