4-(5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid

C13H12N2O2 — CID 105485455

IUPAC4-(5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2ncc3c2CCC3)cc1
InChIInChI=1S/C13H12N2O2/c16-13(17)9-4-6-11(7-5-9)15-12-3-1-2-10(12)8-14-15/h4-8H,1-3H2,(H,16,17)
InChIKeyMISIKOKSQPXSDX-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.06
Rot. Bonds2

About 4-(5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid

4-(5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid (PubChem CID 105485455) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid
PubChem CID105485455
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name4-(5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2ncc3c2CCC3)cc1
InChIInChI=1S/C13H12N2O2/c16-13(17)9-4-6-11(7-5-9)15-12-3-1-2-10(12)8-14-15/h4-8H,1-3H2,(H,16,17)
InChIKeyMISIKOKSQPXSDX-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 158250793
4-(4,5,6,7-tetrahydroindazol-1-yl)benzaldehyde
CID 105483954
1-[1-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl]ethanone
CID 95857400
1-(4-carboxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361635
3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid
CID 82586390
(5S)-1-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 124552092
1-phenyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine
CID 84679841
4-(5-amino-4-cyanopyrazol-1-yl)benzoic acid
CID 2451195
2-chloro-1-(1-phenyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)ethanone
CID 166431919
1-(4-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 28976720
4-(5-methylpyrazol-1-yl)benzoic acid
CID 4962781
(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 126827187

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid?
The IUPAC name of 4-(5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid (CID 105485455) is 4-(5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid.
What is the SMILES notation for 4-(5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid?
The canonical SMILES for 4-(5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid is O=C(O)c1ccc(-n2ncc3c2CCC3)cc1.
What is the InChIKey of 4-(5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid?
The InChIKey is MISIKOKSQPXSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13(17)9-4-6-11(7-5-9)15-12-3-1-2-10(12)8-14-15/h4-8H,1-3H2,(H,16,17).
What are the key properties of 4-(5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid?
4-(5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid has a molecular weight of 228.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid is sourced from PubChem (CID 105485455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).