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

C17H15ClN2O — CID 10236493

IUPAC1-[5-(2-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2Cl)CC1c1ccccc1
InChIInChI=1S/C17H15ClN2O/c1-12(21)20-17(13-7-3-2-4-8-13)11-16(19-20)14-9-5-6-10-15(14)18/h2-10,17H,11H2,1H3
InChIKeyDJIMRCGWGPBZPM-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.04
Rot. Bonds2

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

1-[5-(2-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 10236493) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-[5-(2-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID10236493
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name1-[5-(2-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2Cl)CC1c1ccccc1
InChIInChI=1S/C17H15ClN2O/c1-12(21)20-17(13-7-3-2-4-8-13)11-16(19-20)14-9-5-6-10-15(14)18/h2-10,17H,11H2,1H3
InChIKeyDJIMRCGWGPBZPM-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-[5-(2-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[5-(2-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone (CID 10236493) is 1-[5-(2-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(2-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2ccccc2Cl)CC1c1ccccc1.
What is the InChIKey of 1-[5-(2-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is DJIMRCGWGPBZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-12(21)20-17(13-7-3-2-4-8-13)11-16(19-20)14-9-5-6-10-15(14)18/h2-10,17H,11H2,1H3.
What are the key properties of 1-[5-(2-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
1-[5-(2-chlorophenyl)-3-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-[5-(2-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 10236493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).