(4Z)-4-[2-(3-methoxyphenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide

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Basic information

CAS: 26179-02-2
Standard SMILES: COc1cccc(N=Nc2c(C)[nH]n(C(N)=S)c2=O)c1
InChIKey: KXJOHXZLJAJFFB-UHFFFAOYSA-N
Molecular formula: C12H13N5O2S
Average molar mass: 291.33 g/mol
Monoisotopic mass: 291.07899585

Names & identifiers

Preferred name: (4Z)-4-[2-(3-methoxyphenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
IUPAC: 4-[(3-methoxyphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazole-2-carbothioamide

Names & synonyms

NSC12479626179-02-2DTXSID50430656STK053109AKOS000489945AKOS003272512NSC-124796(4Z)-4-[2-(3-methoxyphenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide(4E)-4-[(3-methoxyphenyl)hydrazono]-3-methyl-5-oxo-pyrazole-1-carbothioamide(4E)-4-[(3-Methoxyphenyl)hydrazono]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide(4E)-4-[2-(3-Methoxyphenyl)hydrazinylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide

Database identifiers

CAS: 26179-02-2
PubChem CID: 3997136
DTXSID: DTXSID50430656

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 124 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 476

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Compound notes

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