1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea
TL;DR: 1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea (CAS 76030-72-3) is a chemical compound with molecular formula C13H16N4OS and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea
Also Known As: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea, 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylthiourea, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-methylthiourea, 2,3-dimethyl-4-{[(methylamino)thioxomethyl]amino}-1-phenyl-3-pyrazolin-5-one
| Molecular Formula | C13H16N4OS |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.1045 |
| Heavy Atoms | 19 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 76030-72-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC |
| InChIKey | DYBCFDIYBQGTAY-UHFFFAOYSA-N |
Product Overview
1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea (CAS 76030-72-3), with molecular formula C13H16N4OS and molecular weight 276.10 g/mol. IUPAC: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea.
Chemical Property Profile of 1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea
Property Insights of 1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea. Following Lipinski's Rule of Five, 1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea has 2 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-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea?
The CAS number of 1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea is 76030-72-3.
What is the molecular formula of 1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea?
The molecular formula of 1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea is C13H16N4OS.
What is the molecular weight of 1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea?
The molecular weight of 1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea is 276.10 g/mol.
Where can I buy 1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea?
You can request a quote for 1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.