N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
TL;DR: N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea (CAS 116432-95-2) is a chemical compound with molecular formula C12H14N4OS and molecular weight 262.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea
Also Known As: BAS 00873156, (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea, Pyrazol-3(2H)-one, 1,5-dimethyl-2-phenyl-4-thioureido-, 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea, N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
| Molecular Formula | C12H14N4OS |
|---|---|
| Molecular Weight | 262.09 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.08884 |
| Heavy Atoms | 18 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 116432-95-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N |
| InChIKey | NIXXJWATYYKOSW-UHFFFAOYSA-N |
Product Overview
N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea (CAS 116432-95-2), with molecular formula C12H14N4OS and molecular weight 262.09 g/mol. IUPAC: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea.
Chemical Property Profile of N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
Property Insights of N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea. Following Lipinski's Rule of Five, N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea 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 N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea?
The CAS number of N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea is 116432-95-2.
What is the molecular formula of N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea?
The molecular formula of N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea is C12H14N4OS.
What is the molecular weight of N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea?
The molecular weight of N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea is 262.09 g/mol.
Where can I buy N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea?
You can request a quote for N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.