1-quinolin-6-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid

C16H13N3O2 — CID 62635467

IUPAC1-quinolin-6-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc3ncccc3c2)c2c1CCC2
InChIInChI=1S/C16H13N3O2/c20-16(21)15-12-4-1-5-14(12)19(18-15)11-6-7-13-10(9-11)3-2-8-17-13/h2-3,6-9H,1,4-5H2,(H,20,21)
InChIKeyFXMHUTWBCCCCEN-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.61
Rot. Bonds2

About 1-quinolin-6-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid

1-quinolin-6-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid (PubChem CID 62635467) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-quinolin-6-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-quinolin-6-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
PubChem CID62635467
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name1-quinolin-6-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc3ncccc3c2)c2c1CCC2
InChIInChI=1S/C16H13N3O2/c20-16(21)15-12-4-1-5-14(12)19(18-15)11-6-7-13-10(9-11)3-2-8-17-13/h2-3,6-9H,1,4-5H2,(H,20,21)
InChIKeyFXMHUTWBCCCCEN-UHFFFAOYSA-N
XLogP2.61
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 28974030
1-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16771372
1-(3-bromo-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 63333802
1-(4-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 28976720
1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16776357
1-(3-fluoro-4-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxylic acid
CID 16777598
1-(3,4,5-trifluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 62812163
1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16771623
ethane;quinoline-6-carboxylic acid
CID 91364452
1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 62812164
phenyl-[4-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 46680389
6-oxo-1-quinolin-6-ylpyridine-3-carboxylic acid
CID 62636849

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-6-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
The IUPAC name of 1-quinolin-6-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid (CID 62635467) is 1-quinolin-6-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-quinolin-6-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-quinolin-6-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid is O=C(O)c1nn(-c2ccc3ncccc3c2)c2c1CCC2.
What is the InChIKey of 1-quinolin-6-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
The InChIKey is FXMHUTWBCCCCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-16(21)15-12-4-1-5-14(12)19(18-15)11-6-7-13-10(9-11)3-2-8-17-13/h2-3,6-9H,1,4-5H2,(H,20,21).
What are the key properties of 1-quinolin-6-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
1-quinolin-6-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-6-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid is sourced from PubChem (CID 62635467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).