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

C16H20N2O3 — CID 82361913

IUPAC1-(3-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid
SMILESCCC(CC)c1cc(C(=O)O)nn1-c1cccc(OC)c1
InChIInChI=1S/C16H20N2O3/c1-4-11(5-2)15-10-14(16(19)20)17-18(15)12-7-6-8-13(9-12)21-3/h6-11H,4-5H2,1-3H3,(H,19,20)
InChIKeyNYTGIXWCQYBPIA-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.48
Rot. Bonds6

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

1-(3-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid (PubChem CID 82361913) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid
PubChem CID82361913
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(3-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid
SMILESCCC(CC)c1cc(C(=O)O)nn1-c1cccc(OC)c1
InChIInChI=1S/C16H20N2O3/c1-4-11(5-2)15-10-14(16(19)20)17-18(15)12-7-6-8-13(9-12)21-3/h6-11H,4-5H2,1-3H3,(H,19,20)
InChIKeyNYTGIXWCQYBPIA-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

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Related Compounds

1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid
CID 82361926
1-(3-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxylic acid
CID 82220360
1-(3-methoxycarbonylphenyl)-5-propan-2-ylpyrazole-3-carboxylic acid
CID 82361886
1-(3-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 43652213
1-(3-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazole-3-carboxylic acid
CID 125457269
5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid
CID 23090117
1-(3-methoxyphenyl)-5-methyl-N-propylpyrazole-3-carboxamide
CID 110373151
4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117232958
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid
CID 117124014
1-[(3-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295044
3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 82295157
5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 114797921

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(3-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid (CID 82361913) is 1-(3-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(3-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid is CCC(CC)c1cc(C(=O)O)nn1-c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid?
The InChIKey is NYTGIXWCQYBPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-11(5-2)15-10-14(16(19)20)17-18(15)12-7-6-8-13(9-12)21-3/h6-11H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 1-(3-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid?
1-(3-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-(3-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 82361913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).