1-(4-Methoxyphenyl)-3-methylthio-1H-pyrazole-5-carboxylic acid

HCID 18177301
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Basic information

Standard SMILES
COc1ccc(-n2nc(SC)cc2C(=O)O)cc1
InChIKey
VYNABOXGVNSDMC-UHFFFAOYSA-N
Molecular formula
C12H12N2O3S
Average molar mass
264.3 g/mol

Names & identifiers

Preferred name
1-(4-Methoxyphenyl)-3-methylthio-1H-pyrazole-5-carboxylic acid
IUPAC
1-(4-methoxyphenyl)-3-methylsulfanylpyrazole-5-carboxylic acid

Names & synonyms

SCHEMBL6174582VYNABOXGVNSDMC-UHFFFAOYSA-N1-(4-Methoxyphenyl)-3-methylthio-1H-pyrazole-5-carboxylic acid

Database identifiers

PubChem CID
18177301

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
89.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
18

Related reactions

7 records
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Compound notes

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