1-[3-Cyano-4-(2-methylbutoxy)phenyl]pyrazole-4-carboxylic acid

HCID 19366019
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Basic information

Standard SMILES
CCC(C)COc1ccc(-n2cc(C(=O)O)cn2)cc1C#N
InChIKey
OOGWSOQXDQCFBV-UHFFFAOYSA-N
Molecular formula
C16H17N3O3
Average molar mass
299.32 g/mol
Monoisotopic mass
299.12699141

Names & identifiers

Preferred name
1-[3-Cyano-4-(2-methylbutoxy)phenyl]pyrazole-4-carboxylic acid
IUPAC
1-[3-cyano-4-(2-methylbutoxy)phenyl]pyrazole-4-carboxylic acid

Names & synonyms

SCHEMBL5401317

Database identifiers

PubChem CID
19366019

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
88.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
22

Related reactions

1 records
New reaction record

Compound notes

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