1H-Pyrazole, 1-nitro-
TL;DR: 1H-Pyrazole, 1-nitro- (CAS 52625-06-6) is a chemical compound with molecular formula C3H3N3O2 and molecular weight 113.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitropyrazole
Also Known As: 1-Nitropyrazole, 1-Nitro-1H-pyrazole, N-Nitropyrazole, 1H-Pyrazole, 1-nitro-, 1H-Pyrazole, nitro-
| Molecular Formula | C3H3N3O2 |
|---|---|
| Molecular Weight | 113.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.02253 |
| Heavy Atoms | 8 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 52625-06-6 |
|---|---|
| SMILES | C1=CN(N=C1)[N+](=O)[O-] |
| InChIKey | TYNVOQYGXDUHRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrazole, 1-nitro- (CAS 52625-06-6), with molecular formula C3H3N3O2 and molecular weight 113.02 g/mol. IUPAC: 1-nitropyrazole.
Chemical Property Profile of 1H-Pyrazole, 1-nitro-
Property Insights of 1H-Pyrazole, 1-nitro-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole, 1-nitro-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole, 1-nitro-. Following Lipinski's Rule of Five, 1H-Pyrazole, 1-nitro- has 0 hydrogen bond donor(s) and 3 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, 1-nitro-?
The CAS number of 1H-Pyrazole, 1-nitro- is 52625-06-6.
What is the molecular formula of 1H-Pyrazole, 1-nitro-?
The molecular formula of 1H-Pyrazole, 1-nitro- is C3H3N3O2.
What is the molecular weight of 1H-Pyrazole, 1-nitro-?
The molecular weight of 1H-Pyrazole, 1-nitro- is 113.02 g/mol.
Where can I buy 1H-Pyrazole, 1-nitro-?
You can request a quote for 1H-Pyrazole, 1-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole, 1-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole, 1-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.