2-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid

C13H14N2O2 — CID 20982103

IUPAC2-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid
SMILESCC(C)c1cccc(-n2nccc2C(=O)O)c1
InChIInChI=1S/C13H14N2O2/c1-9(2)10-4-3-5-11(8-10)15-12(13(16)17)6-7-14-15/h3-9H,1-2H3,(H,16,17)
InChIKeyFECAEDVYNRKPIK-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.69
Rot. Bonds3

About 2-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid

2-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid (PubChem CID 20982103) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid
PubChem CID20982103
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid
SMILESCC(C)c1cccc(-n2nccc2C(=O)O)c1
InChIInChI=1S/C13H14N2O2/c1-9(2)10-4-3-5-11(8-10)15-12(13(16)17)6-7-14-15/h3-9H,1-2H3,(H,16,17)
InChIKeyFECAEDVYNRKPIK-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 2-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid (CID 20982103) is 2-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 2-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid is CC(C)c1cccc(-n2nccc2C(=O)O)c1.
What is the InChIKey of 2-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid?
The InChIKey is FECAEDVYNRKPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(2)10-4-3-5-11(8-10)15-12(13(16)17)6-7-14-15/h3-9H,1-2H3,(H,16,17).
What are the key properties of 2-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid?
2-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 20982103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).