1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo-
TL;DR: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo- (CAS 89-27-0) is a chemical compound with molecular formula C10H7N3O5 and molecular weight 249.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
Also Known As: 1-(3-nitrophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid, 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo-, 4,5-Dihydro-1-(3-nitrophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid, 2-Pyrazoline-3-carboxylic acid, 1-(m-nitrophenyl)-5-oxo-, 4,5-dihydro-1- -5-oxo-1H-pyrazole-3-carboxylicacid
| Molecular Formula | C10H7N3O5 |
|---|---|
| Molecular Weight | 249.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.03857 |
| Heavy Atoms | 18 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 89-27-0 |
|---|---|
| SMILES | C1C(=NN(C1=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | KAUQEIRKYADRME-UHFFFAOYSA-N |
Product Overview
1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo- (CAS 89-27-0), with molecular formula C10H7N3O5 and molecular weight 249.04 g/mol. IUPAC: 1-(3-nitrophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid.
Chemical Property Profile of 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo-
Property Insights of 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo-. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo-. Following Lipinski's Rule of Five, 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo- has 1 hydrogen bond donor(s) and 6 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 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo-?
The CAS number of 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo- is 89-27-0.
What is the molecular formula of 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo-?
The molecular formula of 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo- is C10H7N3O5.
What is the molecular weight of 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo-?
The molecular weight of 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo- is 249.04 g/mol.
Where can I buy 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo-?
You can request a quote for 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(3-nitrophenyl)-5-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.