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

C12H9ClN2O — CID 83895348

IUPAC2-(2-chlorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one
SMILESO=C1CCc2cn(-c3ccccc3Cl)nc21
InChIInChI=1S/C12H9ClN2O/c13-9-3-1-2-4-10(9)15-7-8-5-6-11(16)12(8)14-15/h1-4,7H,5-6H2
InChIKeyDSQIOGSUYGANOE-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.65
Rot. Bonds1

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

2-(2-chlorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one (PubChem CID 83895348) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one
PubChem CID83895348
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name2-(2-chlorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one
SMILESO=C1CCc2cn(-c3ccccc3Cl)nc21
InChIInChI=1S/C12H9ClN2O/c13-9-3-1-2-4-10(9)15-7-8-5-6-11(16)12(8)14-15/h1-4,7H,5-6H2
InChIKeyDSQIOGSUYGANOE-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

2-(2-fluorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one
CID 83886979
1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-4-amine
CID 83216895
6-(2-chlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
CID 3602141
1-(2-chlorophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid
CID 43381532
1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine
CID 83204490
1-(2-chlorophenyl)-5,6-dihydrocyclopenta[d]pyrazol-4-one
CID 83868814
1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid
CID 82131774
2-[1-(2-chlorophenyl)-3-methylpyrazol-4-yl]acetaldehyde
CID 83896288
1-[1-(2-chlorophenyl)-3-methylpyrazol-4-yl]propan-2-one
CID 116817835
2-(2-chlorophenyl)indazole-7-carboxamide
CID 44549373
1-(2-chlorophenyl)-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxymethyl)triazole
CID 169409619
2-(carbamoylamino)-7-(2-chlorophenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 44610387

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one?
The IUPAC name of 2-(2-chlorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one (CID 83895348) is 2-(2-chlorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one.
What is the SMILES notation for 2-(2-chlorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one?
The canonical SMILES for 2-(2-chlorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one is O=C1CCc2cn(-c3ccccc3Cl)nc21.
What is the InChIKey of 2-(2-chlorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one?
The InChIKey is DSQIOGSUYGANOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-9-3-1-2-4-10(9)15-7-8-5-6-11(16)12(8)14-15/h1-4,7H,5-6H2.
What are the key properties of 2-(2-chlorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one?
2-(2-chlorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-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 2-(2-chlorophenyl)-4,5-dihydrocyclopenta[c]pyrazol-6-one is sourced from PubChem (CID 83895348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).