1-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone

C18H18N2O — CID 11529216

IUPAC1-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2)CC1c1ccccc1C
InChIInChI=1S/C18H18N2O/c1-13-8-6-7-11-16(13)18-12-17(19-20(18)14(2)21)15-9-4-3-5-10-15/h3-11,18H,12H2,1-2H3
InChIKeyJILDFTNBAHLXGO-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.69
Rot. Bonds2

About 1-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone

1-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 11529216) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID11529216
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2)CC1c1ccccc1C
InChIInChI=1S/C18H18N2O/c1-13-8-6-7-11-16(13)18-12-17(19-20(18)14(2)21)15-9-4-3-5-10-15/h3-11,18H,12H2,1-2H3
InChIKeyJILDFTNBAHLXGO-UHFFFAOYSA-N
XLogP3.69
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone (CID 11529216) is 1-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2ccccc2)CC1c1ccccc1C.
What is the InChIKey of 1-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is JILDFTNBAHLXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-8-6-7-11-16(13)18-12-17(19-20(18)14(2)21)15-9-4-3-5-10-15/h3-11,18H,12H2,1-2H3.
What are the key properties of 1-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
1-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 278.36 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 11529216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).