(4-methylphenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone

C17H16N2O — CID 2817674

IUPAC(4-methylphenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone
SMILESCc1ccc(C(=O)C2=NNCC2c2ccccc2)cc1
InChIInChI=1S/C17H16N2O/c1-12-7-9-14(10-8-12)17(20)16-15(11-18-19-16)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3
InChIKeyBXKYGDOINXGPNI-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.92
Rot. Bonds3

About (4-methylphenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone

(4-methylphenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone (PubChem CID 2817674) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is (4-methylphenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone
PubChem CID2817674
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name(4-methylphenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone
SMILESCc1ccc(C(=O)C2=NNCC2c2ccccc2)cc1
InChIInChI=1S/C17H16N2O/c1-12-7-9-14(10-8-12)17(20)16-15(11-18-19-16)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3
InChIKeyBXKYGDOINXGPNI-UHFFFAOYSA-N
XLogP2.92
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone?
The IUPAC name of (4-methylphenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone (CID 2817674) is (4-methylphenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone is Cc1ccc(C(=O)C2=NNCC2c2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone?
The InChIKey is BXKYGDOINXGPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-7-9-14(10-8-12)17(20)16-15(11-18-19-16)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3.
What are the key properties of (4-methylphenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone?
(4-methylphenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone has a molecular weight of 264.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 2817674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).