2,6-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid

C9H12N2O2 — CID 14852813

IUPAC2,6-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
SMILESCC1CCc2c1nn(C)c2C(=O)O
InChIInChI=1S/C9H12N2O2/c1-5-3-4-6-7(5)10-11(2)8(6)9(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyACHPYDKVKJXTRD-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.17
Rot. Bonds1

About 2,6-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid

2,6-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid (PubChem CID 14852813) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2,6-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
PubChem CID14852813
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2,6-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
SMILESCC1CCc2c1nn(C)c2C(=O)O
InChIInChI=1S/C9H12N2O2/c1-5-3-4-6-7(5)10-11(2)8(6)9(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyACHPYDKVKJXTRD-UHFFFAOYSA-N
XLogP1.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid (CID 14852813) is 2,6-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid is CC1CCc2c1nn(C)c2C(=O)O.
What is the InChIKey of 2,6-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid?
The InChIKey is ACHPYDKVKJXTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-3-4-6-7(5)10-11(2)8(6)9(12)13/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2,6-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid?
2,6-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 14852813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).