methyl 1-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate
TL;DR: methyl 1-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate (CAS 78051-40-8) is a chemical compound with molecular formula C18H15N3O6 and molecular weight 369.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate
Also Known As: KFCSXTUVLWSKMA-UHFFFAOYSA-, BAS 00630833, methyl 1-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate, Methyl 1-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate, methyl 5-hydroxy-5-(4-nitrophenyl)-1-(phenylcarbonyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
| Molecular Formula | C18H15N3O6 |
|---|---|
| Molecular Weight | 369.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.0961 |
| Heavy Atoms | 27 |
| Complexity | 631.0 |
Chemical Identifiers
| CAS Number | 78051-40-8 |
|---|---|
| SMILES | COC(=O)C1=NN(C(C1)(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)C3=CC=CC=C3 |
| InChIKey | KFCSXTUVLWSKMA-UHFFFAOYSA-N |
Product Overview
methyl 1-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate (CAS 78051-40-8), with molecular formula C18H15N3O6 and molecular weight 369.10 g/mol. IUPAC: methyl 1-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate.
Chemical Property Profile of methyl 1-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate
Property Insights of methyl 1-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, methyl 1-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate has 1 hydrogen bond donor(s) and 7 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-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate?
The CAS number of methyl 1-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate is 78051-40-8.
What is the molecular formula of methyl 1-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate?
The molecular formula of methyl 1-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate is C18H15N3O6.
What is the molecular weight of methyl 1-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate?
The molecular weight of methyl 1-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate is 369.10 g/mol.
Where can I buy methyl 1-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate?
You can request a quote for methyl 1-benzoyl-5-hydroxy-5-(4-nitrophenyl)-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-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-benzoyl-5-hydroxy-5-(4-nitrophenyl)-4H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.