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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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).