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

C11H12N4O2 — CID 79778405

IUPAC1-(1-methylpyrazol-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
SMILESCn1ccc(-n2nc(C(=O)O)c3c2CCC3)n1
InChIInChI=1S/C11H12N4O2/c1-14-6-5-9(12-14)15-8-4-2-3-7(8)10(13-15)11(16)17/h5-6H,2-4H2,1H3,(H,16,17)
InChIKeyJTQDCGHTSBMVCK-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.79
Rot. Bonds2

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

1-(1-methylpyrazol-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid (PubChem CID 79778405) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
PubChem CID79778405
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-(1-methylpyrazol-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
SMILESCn1ccc(-n2nc(C(=O)O)c3c2CCC3)n1
InChIInChI=1S/C11H12N4O2/c1-14-6-5-9(12-14)15-8-4-2-3-7(8)10(13-15)11(16)17/h5-6H,2-4H2,1H3,(H,16,17)
InChIKeyJTQDCGHTSBMVCK-UHFFFAOYSA-N
XLogP0.79
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrazol-3-yl)-5-propyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 79781367
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-chloro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16771372
1-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16771404
1-(3-bromo-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 63333802
1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16771623
1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 28974111
1-(3,4,5-trifluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 62812163
1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 28974030
1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16773246
1-tert-butyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 105461793

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid (CID 79778405) is 1-(1-methylpyrazol-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid is Cn1ccc(-n2nc(C(=O)O)c3c2CCC3)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
The InChIKey is JTQDCGHTSBMVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-14-6-5-9(12-14)15-8-4-2-3-7(8)10(13-15)11(16)17/h5-6H,2-4H2,1H3,(H,16,17).
What are the key properties of 1-(1-methylpyrazol-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
1-(1-methylpyrazol-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid is sourced from PubChem (CID 79778405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).