2-phenyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

C17H16N2O — CID 686393

IUPAC2-phenyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESO=C(Cc1ccccc1)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C17H16N2O/c20-17(13-14-7-3-1-4-8-14)19-12-11-16(18-19)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyKPCSAPOGGDNCST-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.87
Rot. Bonds3

About 2-phenyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

2-phenyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 686393) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-phenyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID686393
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-phenyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESO=C(Cc1ccccc1)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C17H16N2O/c20-17(13-14-7-3-1-4-8-14)19-12-11-16(18-19)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyKPCSAPOGGDNCST-UHFFFAOYSA-N
XLogP2.87
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole
CID 207753
(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 2841175
Phenyl(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 3063662
Cyclohexyl(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 3078480
1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-propan-1-one
CID 3095456
2-Ethyl-6-phenyl-4,5-dihydro-2H-pyridazin-3-one
CID 814967
1-(3-phenyl-5-o-tolyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11529216
N-[2-oxo-2-[(2E)-2-(1-phenylpropan-2-ylidene)hydrazinyl]ethyl]-2-phenylacetamide
CID 5900961
N-cyclopentyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
CID 6624453
N-butyl-3-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)propanamide
CID 15992445
N-benzyl-2-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)acetamide
CID 16189572
(2Z)-2-(hydroxyimino)-2-phenyl-N-(2-phenylethyl)ethanamide
CID 6401233

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 2-phenyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (CID 686393) is 2-phenyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 2-phenyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 2-phenyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is O=C(Cc1ccccc1)N1CCC(c2ccccc2)=N1.
What is the InChIKey of 2-phenyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is KPCSAPOGGDNCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c20-17(13-14-7-3-1-4-8-14)19-12-11-16(18-19)15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of 2-phenyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
2-phenyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 264.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 686393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).