N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide
Basic information
- CAS
796103-22-5- Standard SMILES
Cc1c(C(=S)NC(=O)C2CC2)c(=O)n(-c2ccccc2)n1C- InChIKey
PASIUUYBZUYMPB-UHFFFAOYSA-N- Molecular formula
- C16H17N3O2S
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.10414797
Names & identifiers
- Preferred name
- N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide
- IUPAC
- N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamide
Names & synonyms
N-(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbothioyl)cyclopropanecarboxamideMLS000878081CHEMBL1501355DTXSID501329541HMS1716M04HMS2666M23AKOS034448509796103-22-5SMR000376983Z55911141N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbothioyl)cyclopropanecarboxamide
Database identifiers
- CAS
796103-22-5- PubChem CID
- 2489490
- DTXSID
DTXSID501329541- ChEMBL
CHEMBL1501355
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 548
Experimental & physicochemical properties
Solubility28.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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