![1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea structure](/static/products/100/1004249-31-3.png)
1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea
TL;DR: 1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea (CAS 1004249-31-3) is a chemical compound with molecular formula C12H12N6O3S and molecular weight 320.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea
Also Known As: 1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea, 2-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-N-(4-nitrophenyl)hydrazinecarbothioamide, 1-Methyl-1H-pyrazole-5-carboxylic acid 2-[[(4-nitrophenyl)amino]thioxomethyl]hydrazide, (1-methylpyrazol-5-yl)-N-({[(4-nitrophenyl)amino]thioxomethyl}amino)carboxamid e, 1-Methyl-1H-pyrazole-5-carboxylic acid 2-(((4-nitrophenyl)amino)thioxomethyl)hydrazide
| Molecular Formula | C12H12N6O3S |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | 0.9597 |
| Topological Polar Surface Area | 114.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.06915 |
| Heavy Atoms | 22 |
| Complexity | 711.9066 |
Chemical Identifiers
| CAS Number | 1004249-31-3 |
|---|---|
| SMILES | CN1C(=CC=N1)C(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea (CAS 1004249-31-3), with molecular formula C12H12N6O3S and molecular weight 320.07 g/mol. IUPAC: 1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea.
Chemical Property Profile of 1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea
Property Insights of 1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea
The XLogP value of 0.9597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea. The TPSA of 114.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea. Following Lipinski's Rule of Five, 1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea has 3 hydrogen bond donor(s) and 5 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-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea?
The CAS number of 1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea is 1004249-31-3.
What is the molecular formula of 1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea?
The molecular formula of 1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea is C12H12N6O3S.
What is the molecular weight of 1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea?
The molecular weight of 1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea is 320.07 g/mol.
Where can I buy 1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea?
You can request a quote for 1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.