(3,5-dimethylpyrazol-1-yl)-(4-phenylphenyl)methanone

C18H16N2O — CID 679810

IUPAC(3,5-dimethylpyrazol-1-yl)-(4-phenylphenyl)methanone
SMILESCc1cc(C)n(C(=O)c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C18H16N2O/c1-13-12-14(2)20(19-13)18(21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyGDGNTKCWCWLAPD-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.86
Rot. Bonds2

About (3,5-dimethylpyrazol-1-yl)-(4-phenylphenyl)methanone

(3,5-dimethylpyrazol-1-yl)-(4-phenylphenyl)methanone (PubChem CID 679810) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(4-phenylphenyl)methanone
PubChem CID679810
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(4-phenylphenyl)methanone
SMILESCc1cc(C)n(C(=O)c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C18H16N2O/c1-13-12-14(2)20(19-13)18(21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyGDGNTKCWCWLAPD-UHFFFAOYSA-N
XLogP3.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-(4-phenylphenyl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(4-phenylphenyl)methanone (CID 679810) is (3,5-dimethylpyrazol-1-yl)-(4-phenylphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(4-phenylphenyl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(4-phenylphenyl)methanone is Cc1cc(C)n(C(=O)c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(4-phenylphenyl)methanone?
The InChIKey is GDGNTKCWCWLAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-12-14(2)20(19-13)18(21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(4-phenylphenyl)methanone?
(3,5-dimethylpyrazol-1-yl)-(4-phenylphenyl)methanone has a molecular weight of 276.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-(4-phenylphenyl)methanone is sourced from PubChem (CID 679810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).