1,3-dimethyl-4-nitro-1H-pyrazol-5-ol
TL;DR: 1,3-dimethyl-4-nitro-1H-pyrazol-5-ol (CAS 81649-68-5) is a chemical compound with molecular formula C5H7N3O3 and molecular weight 157.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-4-nitro-1H-pyrazol-3-one
Also Known As: 1,3-dimethyl-4-nitro-1H-pyrazol-5-ol, 2,5-dimethyl-4-nitro-1H-pyrazol-3-one, 2,5-Dimethyl-4-nitro-2H-pyrazol-3-ol, 2,5-Dimethyl-4-nitro-1H-pyrazol-3(2H)-one, 3H-Pyrazol-3-one, 1,2-dihydro-2,5-dimethyl-4-nitro-
| Molecular Formula | C5H7N3O3 |
|---|---|
| Molecular Weight | 157.05 g/mol |
| LogP | -0.06998 |
| Topological Polar Surface Area | 80.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.04874 |
| Heavy Atoms | 11 |
| Complexity | 348.34488 |
Chemical Identifiers
| CAS Number | 81649-68-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C)[N+](=O)[O-] |
Product Overview
1,3-dimethyl-4-nitro-1H-pyrazol-5-ol (CAS 81649-68-5), with molecular formula C5H7N3O3 and molecular weight 157.05 g/mol. IUPAC: 2,5-dimethyl-4-nitro-1H-pyrazol-3-one.
Chemical Property Profile of 1,3-dimethyl-4-nitro-1H-pyrazol-5-ol
Property Insights of 1,3-dimethyl-4-nitro-1H-pyrazol-5-ol
The XLogP value of -0.06998 indicates that 1,3-dimethyl-4-nitro-1H-pyrazol-5-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-4-nitro-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 1,3-dimethyl-4-nitro-1H-pyrazol-5-ol has 1 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 1,3-dimethyl-4-nitro-1H-pyrazol-5-ol?
The CAS number of 1,3-dimethyl-4-nitro-1H-pyrazol-5-ol is 81649-68-5.
What is the molecular formula of 1,3-dimethyl-4-nitro-1H-pyrazol-5-ol?
The molecular formula of 1,3-dimethyl-4-nitro-1H-pyrazol-5-ol is C5H7N3O3.
What is the molecular weight of 1,3-dimethyl-4-nitro-1H-pyrazol-5-ol?
The molecular weight of 1,3-dimethyl-4-nitro-1H-pyrazol-5-ol is 157.05 g/mol.
Where can I buy 1,3-dimethyl-4-nitro-1H-pyrazol-5-ol?
You can request a quote for 1,3-dimethyl-4-nitro-1H-pyrazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-4-nitro-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-4-nitro-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.