1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid

C13H14N2O3 — CID 82361204

IUPAC1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)cnn1-c1ccccc1O
InChIInChI=1S/C13H14N2O3/c1-2-5-10-9(13(17)18)8-14-15(10)11-6-3-4-7-12(11)16/h3-4,6-8,16H,2,5H2,1H3,(H,17,18)
InChIKeyVKGDQQWPDFFKPP-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.23
Rot. Bonds4

About 1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid

1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid (PubChem CID 82361204) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
PubChem CID82361204
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)cnn1-c1ccccc1O
InChIInChI=1S/C13H14N2O3/c1-2-5-10-9(13(17)18)8-14-15(10)11-6-3-4-7-12(11)16/h3-4,6-8,16H,2,5H2,1H3,(H,17,18)
InChIKeyVKGDQQWPDFFKPP-UHFFFAOYSA-N
XLogP2.23
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-hydroxyphenyl)-5-propylpyrazole-4-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 1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid (CID 82361204) is 1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid is CCCc1c(C(=O)O)cnn1-c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid?
The InChIKey is VKGDQQWPDFFKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-2-5-10-9(13(17)18)8-14-15(10)11-6-3-4-7-12(11)16/h3-4,6-8,16H,2,5H2,1H3,(H,17,18).
What are the key properties of 1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid?
1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid is sourced from PubChem (CID 82361204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).