1-acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole
Basic information
- CAS
30693-34-6- Standard SMILES
CC(=O)N1N=C(c2ccccc2)CC1c1ccccc1- InChIKey
BSTJKGVHQLTINE-UHFFFAOYSA-N- Molecular formula
- C17H16N2O
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.12626314
Names & identifiers
- Preferred name
- 1-acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole
- IUPAC
- 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)ethanone
Names & synonyms
1-acetyl-3,5-diphenyl-4,5-dihydro-(1h)-pyrazoleRefChem:9074561-A-DPh-Dh-PC(5)-1-acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole1-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone30693-34-61-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)ethanoneCHEMBL1935851-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-ethanone1-(4,5-Dihydro-3,5-diphenyl-1H-pyrazol-1-yl)ethanoneBRN 02211831-(3,5-Diphenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
Show more names
1-Acetyl-3,5-diphenyl-4,5-dihydropyrazole1-Acetyl-4,5-dihydro-3,5-diphenyl-1H-pyrazole1H-Pyrazole, 4,5-dihydro-1-acetyl-3,5-diphenyl-1-acetyl-3,5-diphenyl-2-pyrazoline5-23-09-00010 (Beilstein Handbook Reference)MLS001212267SCHEMBL1658926BSTJKGVHQLTINE-UHFFFAOYSA-
Database identifiers
- CAS
30693-34-6- PubChem CID
- 207753
- DTXSID
DTXSID20952936- ChEMBL
CHEMBL193585- Nikkaji
- J1.097.053I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
Experimental & physicochemical properties
Solubility19.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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