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5-methoxy-2-(2-propylpyrazol-3-yl)benzoic acid

C14H16N2O3 — CID 63975860

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-methoxy-2-(2-propylpyrazol-3-yl)benzoic acid
SMILESCCCn1nccc1-c1ccc(OC)cc1C(=O)O
InChIInChI=1S/C14H16N2O3/c1-3-8-16-13(6-7-15-16)11-5-4-10(19-2)9-12(11)14(17)18/h4-7,9H,3,8H2,1-2H3,(H,17,18)
InChIKeyBELYVACSCGFGGW-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.67
Rot. Bonds5

About 5-methoxy-2-(2-propylpyrazol-3-yl)benzoic acid

5-methoxy-2-(2-propylpyrazol-3-yl)benzoic acid (PubChem CID 63975860) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-methoxy-2-(2-propylpyrazol-3-yl)benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-(2-propylpyrazol-3-yl)benzoic acid
PubChem CID63975860
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-methoxy-2-(2-propylpyrazol-3-yl)benzoic acid
SMILESCCCn1nccc1-c1ccc(OC)cc1C(=O)O
InChIInChI=1S/C14H16N2O3/c1-3-8-16-13(6-7-15-16)11-5-4-10(19-2)9-12(11)14(17)18/h4-7,9H,3,8H2,1-2H3,(H,17,18)
InChIKeyBELYVACSCGFGGW-UHFFFAOYSA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-propylpyrazol-3-yl)benzoic acid?
The IUPAC name of 5-methoxy-2-(2-propylpyrazol-3-yl)benzoic acid (CID 63975860) is 5-methoxy-2-(2-propylpyrazol-3-yl)benzoic acid.
What is the SMILES notation for 5-methoxy-2-(2-propylpyrazol-3-yl)benzoic acid?
The canonical SMILES for 5-methoxy-2-(2-propylpyrazol-3-yl)benzoic acid is CCCn1nccc1-c1ccc(OC)cc1C(=O)O.
What is the InChIKey of 5-methoxy-2-(2-propylpyrazol-3-yl)benzoic acid?
The InChIKey is BELYVACSCGFGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-8-16-13(6-7-15-16)11-5-4-10(19-2)9-12(11)14(17)18/h4-7,9H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 5-methoxy-2-(2-propylpyrazol-3-yl)benzoic acid?
5-methoxy-2-(2-propylpyrazol-3-yl)benzoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-propylpyrazol-3-yl)benzoic acid is sourced from PubChem (CID 63975860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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