N'-(4-methylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
Basic information
- CAS
1042743-47-4- Standard SMILES
CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1- InChIKey
DKDZPQFEVYDJDK-UHFFFAOYSA-N- Molecular formula
- C18H16N4O4S
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.08922618
Names & identifiers
- Preferred name
- N'-(4-methylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
- IUPAC
- N'-(4-methylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
Names & synonyms
N'-(4-methylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazideMLS002245502CHEMBL1904599DTXSID301326434AKOS0012472771042743-47-4SMR001309154Z33045780N'-[4-(Methanesulfonyl)benzoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
Database identifiers
- CAS
1042743-47-4- PubChem CID
- 4847754
- DTXSID
DTXSID301326434- ChEMBL
CHEMBL1904599
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 634
Experimental & physicochemical properties
Solubility34.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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