1-(3,5-diphenylpyrazol-1-yl)ethanone

C17H14N2O — CID 828167

IUPAC1-(3,5-diphenylpyrazol-1-yl)ethanone
SMILESCC(=O)n1nc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C17H14N2O/c1-13(20)19-17(15-10-6-3-7-11-15)12-16(18-19)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyLEZLHOKJTQXBOW-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.88
Rot. Bonds2

About 1-(3,5-diphenylpyrazol-1-yl)ethanone

1-(3,5-diphenylpyrazol-1-yl)ethanone (PubChem CID 828167) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(3,5-diphenylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-diphenylpyrazol-1-yl)ethanone
PubChem CID828167
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name1-(3,5-diphenylpyrazol-1-yl)ethanone
SMILESCC(=O)n1nc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C17H14N2O/c1-13(20)19-17(15-10-6-3-7-11-15)12-16(18-19)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyLEZLHOKJTQXBOW-UHFFFAOYSA-N
XLogP3.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diphenylpyrazol-1-yl)ethanone?
The IUPAC name of 1-(3,5-diphenylpyrazol-1-yl)ethanone (CID 828167) is 1-(3,5-diphenylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(3,5-diphenylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-(3,5-diphenylpyrazol-1-yl)ethanone is CC(=O)n1nc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 1-(3,5-diphenylpyrazol-1-yl)ethanone?
The InChIKey is LEZLHOKJTQXBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-13(20)19-17(15-10-6-3-7-11-15)12-16(18-19)14-8-4-2-5-9-14/h2-12H,1H3.
What are the key properties of 1-(3,5-diphenylpyrazol-1-yl)ethanone?
1-(3,5-diphenylpyrazol-1-yl)ethanone has a molecular weight of 262.31 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diphenylpyrazol-1-yl)ethanone is sourced from PubChem (CID 828167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).