96447-49-3
1-amino-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea
Also Known As: N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide|Oprea1_353560|N- HYDRAZINECARBOTHIOAMIDE|3-amino-1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea|OTAVA-BB BB0112120182|BAS 00778201|NCI60_034042|UPCMLD0ENAT0514-5140:001|1-amino-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea|SR-01000005191-1|SR-01000005191-2|F0207-0659|1-amino-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea|hydrazinecarbothioamide, n-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1h-pyrazol-4-yl)-|4-[(hydrazinothioxomethyl)amino]-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one|N-azanyl-N'-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamimidothioic acid
| Molecular Formula | C12H15N5OS |
|---|---|
| Molecular Weight | 277.09973 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.09973 |
| Monoisotopic Mass | 277.09973 |
| Heavy Atoms | 19 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 98253-52-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN |
| InChIKey | AECZZXCAOYZBRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
96447-49-3 (CAS 98253-52-2), with molecular formula C12H15N5OS and molecular weight 277.09973 g/mol. IUPAC: 1-amino-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea.