1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid

C16H20N2O3 — CID 82361926

IUPAC1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid
SMILESCCC(CC)c1cc(C(=O)O)nn1-c1ccccc1OC
InChIInChI=1S/C16H20N2O3/c1-4-11(5-2)14-10-12(16(19)20)17-18(14)13-8-6-7-9-15(13)21-3/h6-11H,4-5H2,1-3H3,(H,19,20)
InChIKeyYAEWZEMVBOPGBH-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.48
Rot. Bonds6

About 1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid

1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid (PubChem CID 82361926) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid
PubChem CID82361926
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid
SMILESCCC(CC)c1cc(C(=O)O)nn1-c1ccccc1OC
InChIInChI=1S/C16H20N2O3/c1-4-11(5-2)14-10-12(16(19)20)17-18(14)13-8-6-7-9-15(13)21-3/h6-11H,4-5H2,1-3H3,(H,19,20)
InChIKeyYAEWZEMVBOPGBH-UHFFFAOYSA-N
XLogP3.48
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-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

Related Compounds

1-(2-methoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361800
1-(3-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid
CID 82361913
1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid
CID 46708109
1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361782
5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid
CID 118395913
1-[2-(difluoromethoxy)phenyl]-5-methylpyrazole-3-carboxylic acid
CID 105421474
1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid
CID 82220353
6-(2,2-dimethylpropanoyl)-2-(2-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785984
5-cyclopropyl-1-(2-ethoxyphenyl)pyrazole-3-carboxylic acid
CID 82361939
1-(2-methoxyphenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
CID 5007963
1-(2-fluorophenyl)-5-propan-2-ylpyrazole-3-carboxylic acid
CID 60725596
1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 71563706

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid (CID 82361926) is 1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid is CCC(CC)c1cc(C(=O)O)nn1-c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid?
The InChIKey is YAEWZEMVBOPGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-11(5-2)14-10-12(16(19)20)17-18(14)13-8-6-7-9-15(13)21-3/h6-11H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid?
1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 82361926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).