1-(2-chlorophenyl)-5,6-dihydrocyclopenta[d]pyrazol-4-one

C12H9ClN2O — CID 83868814

IUPAC1-(2-chlorophenyl)-5,6-dihydrocyclopenta[d]pyrazol-4-one
SMILESO=C1CCc2c1cnn2-c1ccccc1Cl
InChIInChI=1S/C12H9ClN2O/c13-9-3-1-2-4-11(9)15-10-5-6-12(16)8(10)7-14-15/h1-4,7H,5-6H2
InChIKeyRZHGUUNWLUDJTR-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.65
Rot. Bonds1

About 1-(2-chlorophenyl)-5,6-dihydrocyclopenta[d]pyrazol-4-one

1-(2-chlorophenyl)-5,6-dihydrocyclopenta[d]pyrazol-4-one (PubChem CID 83868814) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5,6-dihydrocyclopenta[d]pyrazol-4-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5,6-dihydrocyclopenta[d]pyrazol-4-one
PubChem CID83868814
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name1-(2-chlorophenyl)-5,6-dihydrocyclopenta[d]pyrazol-4-one
SMILESO=C1CCc2c1cnn2-c1ccccc1Cl
InChIInChI=1S/C12H9ClN2O/c13-9-3-1-2-4-11(9)15-10-5-6-12(16)8(10)7-14-15/h1-4,7H,5-6H2
InChIKeyRZHGUUNWLUDJTR-UHFFFAOYSA-N
XLogP2.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 53415447
1-(2-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 83861379
1-(2,6-dichlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 53415414
1-(2-chlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-amine
CID 83895833
2-(2-chlorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one
CID 83895348
1-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 43381499
6-cyclopropyl-1-(2-fluorophenyl)-5,7-dihydropyrazolo[5,4-c]pyridin-4-one
CID 176715029
1-(2-chlorophenyl)-N-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
CID 65356817
2-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]acetaldehyde
CID 83896284
1-(2-chlorophenyl)-5-fluoropyrazole-4-carbonitrile
CID 56956020
1-(2-chlorophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
CID 607612
2-(2-chlorophenyl)pyrazolidin-3-one
CID 83531467

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5,6-dihydrocyclopenta[d]pyrazol-4-one?
The IUPAC name of 1-(2-chlorophenyl)-5,6-dihydrocyclopenta[d]pyrazol-4-one (CID 83868814) is 1-(2-chlorophenyl)-5,6-dihydrocyclopenta[d]pyrazol-4-one.
What is the SMILES notation for 1-(2-chlorophenyl)-5,6-dihydrocyclopenta[d]pyrazol-4-one?
The canonical SMILES for 1-(2-chlorophenyl)-5,6-dihydrocyclopenta[d]pyrazol-4-one is O=C1CCc2c1cnn2-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5,6-dihydrocyclopenta[d]pyrazol-4-one?
The InChIKey is RZHGUUNWLUDJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-9-3-1-2-4-11(9)15-10-5-6-12(16)8(10)7-14-15/h1-4,7H,5-6H2.
What are the key properties of 1-(2-chlorophenyl)-5,6-dihydrocyclopenta[d]pyrazol-4-one?
1-(2-chlorophenyl)-5,6-dihydrocyclopenta[d]pyrazol-4-one has a molecular weight of 232.67 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5,6-dihydrocyclopenta[d]pyrazol-4-one is sourced from PubChem (CID 83868814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).