5-{1-[4-hydroxy-1-methyl-5-(4-trifluoromethylphenyl)-1H-pyrazol-3-yl]ethylidenehydrazinocarbonyl}thiophene-2-carboxylic Acid 2-methoxyethylamide (HCID 76597846)

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Basic information

Standard SMILES: COCCNC(=O)c1ccc(C(=O)NN=C(C)c2nn(C)c(-c3ccc(C(F)(F)F)cc3)c2O)s1
InChIKey: OAMFXTXYPTTZRV-UHFFFAOYSA-N
Molecular formula: C22H22F3N5O4S
Average molar mass: 509.5 g/mol

Names & identifiers

Preferred name: 5-{1-[4-hydroxy-1-methyl-5-(4-trifluoromethylphenyl)-1H-pyrazol-3-yl]ethylidenehydrazinocarbonyl}thiophene-2-carboxylic Acid 2-methoxyethylamide
IUPAC: 2-N-[1-[4-hydroxy-1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethylideneamino]-5-N-(2-methoxyethyl)thiophene-2,5-dicarboxamide

Names & synonyms

5-{1-[4-hydroxy-1-methyl-5-(4-trifluoromethylphenyl)-1H-pyrazol-3-yl]ethylidenehydrazinocarbonyl}thiophene-2-carboxylic Acid 2-methoxyethylamideSCHEMBL2000473

Database identifiers

PubChem CID: 76597846

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 146 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 10
Rotatable bonds: 8
Heavy atoms: 35
Formal charge: 0
Complexity: 779

Related reactions

2 records

New reaction record

HRID 699432As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 2422808As productuspto-grants-2011_06

Compound notes

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