2-(2-methylpropyl)pyrazole-3-carboxylic acid

C8H12N2O2 — CID 19619900

IUPAC2-(2-methylpropyl)pyrazole-3-carboxylic acid
SMILESCC(C)Cn1nccc1C(=O)O
InChIInChI=1S/C8H12N2O2/c1-6(2)5-10-7(8(11)12)3-4-9-10/h3-4,6H,5H2,1-2H3,(H,11,12)
InChIKeyXTWDDHNVKGTPLR-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.24
Rot. Bonds3

About 2-(2-methylpropyl)pyrazole-3-carboxylic acid

2-(2-methylpropyl)pyrazole-3-carboxylic acid (PubChem CID 19619900) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(2-methylpropyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropyl)pyrazole-3-carboxylic acid
PubChem CID19619900
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(2-methylpropyl)pyrazole-3-carboxylic acid
SMILESCC(C)Cn1nccc1C(=O)O
InChIInChI=1S/C8H12N2O2/c1-6(2)5-10-7(8(11)12)3-4-9-10/h3-4,6H,5H2,1-2H3,(H,11,12)
InChIKeyXTWDDHNVKGTPLR-UHFFFAOYSA-N
XLogP1.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylpropyl)pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)pyrazole-3-carboxylic acid?
The IUPAC name of 2-(2-methylpropyl)pyrazole-3-carboxylic acid (CID 19619900) is 2-(2-methylpropyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 2-(2-methylpropyl)pyrazole-3-carboxylic acid is CC(C)Cn1nccc1C(=O)O.
What is the InChIKey of 2-(2-methylpropyl)pyrazole-3-carboxylic acid?
The InChIKey is XTWDDHNVKGTPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(2)5-10-7(8(11)12)3-4-9-10/h3-4,6H,5H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-methylpropyl)pyrazole-3-carboxylic acid?
2-(2-methylpropyl)pyrazole-3-carboxylic acid has a molecular weight of 168.20 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 19619900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).