1,1-Dimethyl-3-phenyl-1H-1lambda(5)-pyrazol-5-ol
Basic information
- CAS
29707-10-6- Standard SMILES
C[N+]1(C)NC(c2ccccc2)=CC1=O- InChIKey
YWGZXMILMQEKTP-UHFFFAOYSA-O- Molecular formula
- C11H13N2O+
- Average molar mass
- 189.23 g/mol
- Monoisotopic mass
- 189.10278804
Names & identifiers
- Preferred name
- 1,1-Dimethyl-3-phenyl-1H-1lambda(5)-pyrazol-5-ol
- IUPAC
- 2,2-dimethyl-5-phenyl-1H-pyrazol-2-ium-3-one
Names & synonyms
1,1-Dimethyl-3-phenyl-1H-1lambda(5)-pyrazol-5-ol29707-10-6NSC 177258NSC177258DTXSID90183856Pyrazolium, 5-hydroxy-1,1-dimethyl-3-phenyl-, hydroxide, inner salt2,2-dimethyl-5-phenyl-pyrazol-2-ium-3-ol1,1-Dimethyl-3-phenyl-1H-1.lambda.~5~-pyrazol-5-ol1,1-Dimethyl-5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-ium
Database identifiers
- CAS
29707-10-6- PubChem CID
- 425874
- DTXSID
DTXSID90183856
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 1
- Complexity
- 275
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