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

C17H15ClN2O — CID 11842288

IUPAC1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C17H15ClN2O/c1-12(21)20-11-16(13-5-3-2-4-6-13)17(19-20)14-7-9-15(18)10-8-14/h2-10,16H,11H2,1H3
InChIKeyPRUOQZRMPIEBLB-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.69
Rot. Bonds2

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

1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 11842288) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID11842288
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C17H15ClN2O/c1-12(21)20-11-16(13-5-3-2-4-6-13)17(19-20)14-7-9-15(18)10-8-14/h2-10,16H,11H2,1H3
InChIKeyPRUOQZRMPIEBLB-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 ≤ 500298.77
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbaldehyde
CID 3125367
5-chloro-2-(4-chlorobenzyl)-6-phenyl-3(2H)-pyridazinone
CID 1472475
3-(4-chlorophenyl)-N-isopropyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 11842289
1-acetyl-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
CID 1519955
3-(4-chlorophenyl)-5-phenyl-1-propionyl-4,5-dihydro-1H-pyrazole
CID 2958497
[(1-benzyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)(4-chlorophenyl)methyl]propanedinitrile
CID 3125001
4,6-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-3(2H)-pyridazinone
CID 3702992
2-(4-chlorobenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one
CID 3809138
3-(4-chlorophenyl)-1-ethyl-4-phenyl-4,5-dihydro-1H-pyrazole
CID 11842292
1-[3,5-Bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 25146032
1-[3-(4-Chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 25147359
1-[5-(4-Chlorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 25147362

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanone (CID 11842288) is 1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is PRUOQZRMPIEBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-12(21)20-11-16(13-5-3-2-4-6-13)17(19-20)14-7-9-15(18)10-8-14/h2-10,16H,11H2,1H3.
What are the key properties of 1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanone?
1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 298.77 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-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 11842288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).