3-methyl-N'-[(E)-(5-methylthiophen-2-yl)methylidene]-1H-pyrazole-5-carbohydrazide

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Basic information

CAS: 387344-95-8
Standard SMILES: Cc1cc(C(=O)N/N=C/c2ccc(C)s2)n[nH]1
InChIKey: QNHHFKNLHNQUFC-WUXMJOGZSA-N
Molecular formula: C11H12N4OS
Average molar mass: 248.31 g/mol
Monoisotopic mass: 248.07318219

Names & identifiers

Preferred name: 3-methyl-N'-[(E)-(5-methylthiophen-2-yl)methylidene]-1H-pyrazole-5-carbohydrazide
IUPAC: 5-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-pyrazole-3-carboxamide

Names & synonyms

MLS000950088CHEMBL3199449STK083447AKOS001618526SMR000619924ST50177263SR-01000081348SR-01000081348-13-METHYL-N'-((5-METHYL-2-THIENYL)METHYLENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDE3-methyl-N'-[(E)-(5-methylthiophen-2-yl)methylidene]-1H-pyrazole-5-carbohydrazideN-[(1E)-2-(5-methyl(2-thienyl))-1-azavinyl](3-methylpyrazol-5-yl)carboxamide

Database identifiers

CAS: 387344-95-8
PubChem CID: 6890771
ChEMBL: CHEMBL3199449
EC Number: 140-199-2

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 98.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 310

Experimental & physicochemical properties

Solubility7 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

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Compound notes

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