4-[(4-ethylphenyl)amino]-1-methyl-1H-pyrazole-5-carboxylic acid

HCID 12985704
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Basic information

Standard SMILES
CCc1ccc(Nc2cnn(C)c2C(=O)O)cc1
InChIKey
IIAQWHFSZCRUET-UHFFFAOYSA-N
Molecular formula
C13H15N3O2
Average molar mass
245.28 g/mol

Names & identifiers

Preferred name
4-[(4-ethylphenyl)amino]-1-methyl-1H-pyrazole-5-carboxylic acid
IUPAC
4-(4-ethylanilino)-1-methylpyrazole-5-carboxylic acid

Names & synonyms

SCHEMBL6787863IIAQWHFSZCRUET-UHFFFAOYSA-N4-[(4-ethylphenyl)amino]-1-methyl-1H-pyrazole-5-carboxylic acid

Database identifiers

PubChem CID
12985704

Properties

Computed structural properties

XLogP
3
Topological polar surface area
67.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
18

Related reactions

1 records
New reaction record

Linked notes

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