2,4-Diphenyl-5-(pyridin-2-yl)-2,4-dihydro-3H-pyrazol-3-one--hydrogen chloride (1/1)
Basic information
- CAS
7410-07-3- Standard SMILES
Cl.O=C1C(c2ccccc2)C(c2ccccn2)=NN1c1ccccc1- InChIKey
JWOCHHYPXPRAAL-UHFFFAOYSA-N- Molecular formula
- C20H16ClN3O
- Average molar mass
- 349.8 g/mol
- Monoisotopic mass
- 349.0981898
Names & identifiers
- Preferred name
- 2,4-Diphenyl-5-(pyridin-2-yl)-2,4-dihydro-3H-pyrazol-3-one--hydrogen chloride (1/1)
- IUPAC
- 2,4-diphenyl-5-pyridin-2-yl-4H-pyrazol-3-one;hydrochloride
Names & synonyms
DTXSID009955437410-07-32,4-Diphenyl-5-(pyridin-2-yl)-2,4-dihydro-3H-pyrazol-3-one--hydrogen chloride (1/1)RefChem:1059803DTXCID0014225681,4-Diphenyl-3-(2'-pyridyl)-pyrazolone-5 hydrochloride2-Pyrazolin-5-one, 1,4-diphenyl-3-(2-pyridyl)-, hydrochloride
Database identifiers
- CAS
7410-07-3- PubChem CID
- 202066
- DTXSID
DTXSID00995543
Properties
Computed structural properties
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 477
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Compound notes
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