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Basic information
- Standard SMILES
Cc1cn(C(C)(C)C(=O)O)nc1-c1ccccc1- InChIKey
CQAWBLWHMADWAW-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.12117776
Names & identifiers
- Preferred name
- alpha,alpha,4-Trimethyl-3-phenylpyrazole-1-acetic acid
- IUPAC
- 2-methyl-2-(4-methyl-3-phenylpyrazol-1-yl)propanoic acid
Names & synonyms
SCHEMBL11623223CQAWBLWHMADWAW-UHFFFAOYSA-Nalpha,alpha,4-trimethyl-3-phenylpyrazole-1-acetic acid
Database identifiers
- PubChem CID
- 20370367
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 311
Related reactions
1 records
Compound notes
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