1,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 1,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one (CAS 61885-22-1) 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.
2,3-dimethyl-4-nitro-1H-pyrazol-5-one
Also Known As: 2,3-dimethyl-4-nitro-1H-pyrazol-5-one, 1,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one, 1,5-dimethyl-4-nitro-1,2-dihydro-pyrazol-3-one, 3h-pyrazol-3-one,1,2-dihydro-1,5-dimethyl-4-nitro-, 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-nitro-
| Molecular Formula | C5H7N3O3 |
|---|---|
| Molecular Weight | 157.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.04874 |
| Heavy Atoms | 11 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 61885-22-1 |
|---|---|
| SMILES | CC1=C(C(=O)NN1C)[N+](=O)[O-] |
| InChIKey | NQDGRFWJFDMVPD-UHFFFAOYSA-N |
Product Overview
1,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one (CAS 61885-22-1), with molecular formula C5H7N3O3 and molecular weight 157.05 g/mol. IUPAC: 2,3-dimethyl-4-nitro-1H-pyrazol-5-one.
Chemical Property Profile of 1,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 1,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 1,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one has 1 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 1,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 1,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one is 61885-22-1.
What is the molecular formula of 1,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 1,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one is C5H7N3O3.
What is the molecular weight of 1,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 1,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one is 157.05 g/mol.
Where can I buy 1,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 1,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.