1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one

C18H16N2O — CID 107331042

IUPAC1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(-c2ccnn2-c2ccccc2)c1
InChIInChI=1S/C18H16N2O/c1-2-18(21)15-8-6-7-14(13-15)17-11-12-19-20(17)16-9-4-3-5-10-16/h3-13H,2H2,1H3
InChIKeyAEMBAMYXJFHQGO-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.13
Rot. Bonds4

About 1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one

1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one (PubChem CID 107331042) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one
PubChem CID107331042
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(-c2ccnn2-c2ccccc2)c1
InChIInChI=1S/C18H16N2O/c1-2-18(21)15-8-6-7-14(13-15)17-11-12-19-20(17)16-9-4-3-5-10-16/h3-13H,2H2,1H3
InChIKeyAEMBAMYXJFHQGO-UHFFFAOYSA-N
XLogP4.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one?
The IUPAC name of 1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one (CID 107331042) is 1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one is CCC(=O)c1cccc(-c2ccnn2-c2ccccc2)c1.
What is the InChIKey of 1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one?
The InChIKey is AEMBAMYXJFHQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-2-18(21)15-8-6-7-14(13-15)17-11-12-19-20(17)16-9-4-3-5-10-16/h3-13H,2H2,1H3.
What are the key properties of 1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one?
1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one has a molecular weight of 276.34 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-phenylpyrazol-3-yl)phenyl]propan-1-one is sourced from PubChem (CID 107331042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).