2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid

C8H10N2O2 — CID 82414342

IUPAC2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESCn1cc2c(n1)CCC2C(=O)O
InChIInChI=1S/C8H10N2O2/c1-10-4-6-5(8(11)12)2-3-7(6)9-10/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyOOVLWAZKVXSRRJ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.53
Rot. Bonds1

About 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid

2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid (PubChem CID 82414342) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
PubChem CID82414342
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid
SMILESCn1cc2c(n1)CCC2C(=O)O
InChIInChI=1S/C8H10N2O2/c1-10-4-6-5(8(11)12)2-3-7(6)9-10/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyOOVLWAZKVXSRRJ-UHFFFAOYSA-N
XLogP0.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)propanoic acid
CID 6485397
2-(1-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid
CID 129321797
1-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 77230337
2-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
CID 83906436
3-(1,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19616562
3-(1,3-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19621371
2-(1-Methylpyrazol-3-yl)cyclopropane-1-carboxylic acid
CID 126855068
(5S)-2-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-5-carboxylic acid
CID 178976574
(5S)-1-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-5-carboxylic acid
CID 178976600
ethyl (5S)-2-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-5-carboxylate
CID 178977331
1-Butyl-2-(1,4-dimethylpyrazol-3-yl)cyclopropane-1-carboxylic acid
CID 176432823
3-(1,3-Dimethylpyrazol-4-yl)-2-fluoropropanoic acid
CID 83089300

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid?
The IUPAC name of 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid (CID 82414342) is 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid is Cn1cc2c(n1)CCC2C(=O)O.
What is the InChIKey of 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid?
The InChIKey is OOVLWAZKVXSRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10-4-6-5(8(11)12)2-3-7(6)9-10/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid?
2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-4-carboxylic acid is sourced from PubChem (CID 82414342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).