3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one

C12H9ClN2O — CID 83868818

IUPAC3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one
SMILESO=C1CCc2[nH]nc(-c3cccc(Cl)c3)c21
InChIInChI=1S/C12H9ClN2O/c13-8-3-1-2-7(6-8)12-11-9(14-15-12)4-5-10(11)16/h1-3,6H,4-5H2,(H,14,15)
InChIKeyGXCMYESCYSJFNS-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.86
Rot. Bonds1

About 3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one

3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one (PubChem CID 83868818) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one
PubChem CID83868818
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one
SMILESO=C1CCc2[nH]nc(-c3cccc(Cl)c3)c21
InChIInChI=1S/C12H9ClN2O/c13-8-3-1-2-7(6-8)12-11-9(14-15-12)4-5-10(11)16/h1-3,6H,4-5H2,(H,14,15)
InChIKeyGXCMYESCYSJFNS-UHFFFAOYSA-N
XLogP2.86
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135957060
3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 108780213
2-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 57056355
(3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750013
2,2,2-trichloro-1-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 108725831
4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole
CID 141270020
[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 108725845
5-(3-chlorophenyl)-3-propan-2-yl-1H-pyridazin-6-one
CID 132587737
3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-amine
CID 46167948
ethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 108725868
3-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 108725805
3-(3-chlorophenyl)-5-(2,4-dimethylphenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 108780218

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one?
The IUPAC name of 3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one (CID 83868818) is 3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one is O=C1CCc2[nH]nc(-c3cccc(Cl)c3)c21.
What is the InChIKey of 3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one?
The InChIKey is GXCMYESCYSJFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-8-3-1-2-7(6-8)12-11-9(14-15-12)4-5-10(11)16/h1-3,6H,4-5H2,(H,14,15).
What are the key properties of 3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one?
3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one has a molecular weight of 232.67 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5,6-dihydro-1H-cyclopenta[c]pyrazol-4-one is sourced from PubChem (CID 83868818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).