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Basic information
- Standard SMILES
Cc1nn(CC(=O)O)cc1C(=O)Nc1ccc(OCC(C)(C)C)c(C#N)c1- InChIKey
RBQOFRHMQYFOMG-UHFFFAOYSA-N- Molecular formula
- C19H22N4O4
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.1641052
Names & identifiers
- Preferred name
- 4-[N-(3-Cyano-4-neopentyloxyphenyl)carbamoyl]-3-methylpyrazol-1-ylacetic acid
- IUPAC
- 2-[4-[[3-cyano-4-(2,2-dimethylpropoxy)phenyl]carbamoyl]-3-methylpyrazol-1-yl]acetic acid
Names & synonyms
SCHEMBL6052682RBQOFRHMQYFOMG-UHFFFAOYSA-N4-[N-(3-Cyano-4-neopentyloxyphenyl)carbamoyl]-3-methylpyrazol-1-ylacetic acid
Database identifiers
- PubChem CID
- 22228209
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 594
Related reactions
2 records
Compound notes
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