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

C17H15ClN2O — CID 3460092

IUPAC1-[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2)CC1c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O/c1-12(21)20-17(14-8-5-9-15(18)10-14)11-16(19-20)13-6-3-2-4-7-13/h2-10,17H,11H2,1H3
InChIKeyAFGLIAGETHRCIA-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.04
Rot. Bonds2

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

1-[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 3460092) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID3460092
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name1-[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2)CC1c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O/c1-12(21)20-17(14-8-5-9-15(18)10-14)11-16(19-20)13-6-3-2-4-7-13/h2-10,17H,11H2,1H3
InChIKeyAFGLIAGETHRCIA-UHFFFAOYSA-N
XLogP4.04
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone (CID 3460092) is 1-[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2ccccc2)CC1c1cccc(Cl)c1.
What is the InChIKey of 1-[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is AFGLIAGETHRCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-12(21)20-17(14-8-5-9-15(18)10-14)11-16(19-20)13-6-3-2-4-7-13/h2-10,17H,11H2,1H3.
What are the key properties of 1-[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
1-[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 298.77 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 3460092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).