1-phenyl-2-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)ethanone

C17H16N2O — CID 12575529

IUPAC1-phenyl-2-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)ethanone
SMILESO=C(CC1CC(c2ccccc2)=NN1)c1ccccc1
InChIInChI=1S/C17H16N2O/c20-17(14-9-5-2-6-10-14)12-15-11-16(19-18-15)13-7-3-1-4-8-13/h1-10,15,18H,11-12H2
InChIKeyZQPRTMFIIJCLFS-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.03
Rot. Bonds4

About 1-phenyl-2-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)ethanone

1-phenyl-2-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)ethanone (PubChem CID 12575529) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-phenyl-2-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)ethanone
PubChem CID12575529
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-phenyl-2-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)ethanone
SMILESO=C(CC1CC(c2ccccc2)=NN1)c1ccccc1
InChIInChI=1S/C17H16N2O/c20-17(14-9-5-2-6-10-14)12-15-11-16(19-18-15)13-7-3-1-4-8-13/h1-10,15,18H,11-12H2
InChIKeyZQPRTMFIIJCLFS-UHFFFAOYSA-N
XLogP3.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)ethanone?
The IUPAC name of 1-phenyl-2-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)ethanone (CID 12575529) is 1-phenyl-2-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)ethanone.
What is the SMILES notation for 1-phenyl-2-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)ethanone?
The canonical SMILES for 1-phenyl-2-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)ethanone is O=C(CC1CC(c2ccccc2)=NN1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)ethanone?
The InChIKey is ZQPRTMFIIJCLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c20-17(14-9-5-2-6-10-14)12-15-11-16(19-18-15)13-7-3-1-4-8-13/h1-10,15,18H,11-12H2.
What are the key properties of 1-phenyl-2-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)ethanone?
1-phenyl-2-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)ethanone has a molecular weight of 264.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)ethanone is sourced from PubChem (CID 12575529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).