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

C17H15ClN2O2 — CID 135499808

IUPAC1-[3-(2-chlorophenyl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(O)cc2)CC1c1ccccc1Cl
InChIInChI=1S/C17H15ClN2O2/c1-11(21)20-17(14-4-2-3-5-15(14)18)10-16(19-20)12-6-8-13(22)9-7-12/h2-9,17,22H,10H2,1H3
InChIKeyKDUPADFOIVGVKY-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.74
Rot. Bonds2

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

1-[3-(2-chlorophenyl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 135499808) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID135499808
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name1-[3-(2-chlorophenyl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(O)cc2)CC1c1ccccc1Cl
InChIInChI=1S/C17H15ClN2O2/c1-11(21)20-17(14-4-2-3-5-15(14)18)10-16(19-20)12-6-8-13(22)9-7-12/h2-9,17,22H,10H2,1H3
InChIKeyKDUPADFOIVGVKY-UHFFFAOYSA-N
XLogP3.74
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

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Related Compounds

2-[1-acetyl-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 4139639
1-[(5S)-3-(2-chlorophenyl)-5-(3-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 9883349
1-[(5S)-3-(2,5-difluorophenyl)-5-(3-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 24901498
[4-[2-Acetyl-3-(2,5-dichlorophenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate
CID 155527483
[3-[2-Acetyl-5-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl] sulfamate
CID 155550021
[4-[2-Acetyl-3-(3-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate
CID 155554140
[4-[2-Acetyl-3-(2-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate
CID 155557875
1-[3-(2,5-Difluoro-phenyl)-5-(3-hydroxy-phenyl)-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 10236645
1-[3-(4-Hydroxy-phenyl)-5-p-tolyl-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 135514579
1-[3-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 4298702
3-[(5s)-1-Acetyl-3-(2-Chlorophenyl)-4,5-Dihydro-1h-Pyrazol-5-Yl]Phenol
CID 5288685
1-[5-(4-Chloro-phenyl)-3-(4-hydroxy-phenyl)-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 3391493

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[3-(2-chlorophenyl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone (CID 135499808) is 1-[3-(2-chlorophenyl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[3-(2-chlorophenyl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(c2ccc(O)cc2)CC1c1ccccc1Cl.
What is the InChIKey of 1-[3-(2-chlorophenyl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is KDUPADFOIVGVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11(21)20-17(14-4-2-3-5-15(14)18)10-16(19-20)12-6-8-13(22)9-7-12/h2-9,17,22H,10H2,1H3.
What are the key properties of 1-[3-(2-chlorophenyl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[3-(2-chlorophenyl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 314.77 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 135499808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).