3-(5-methoxy-1-propylpyrazol-4-yl)propanoic acid

C10H16N2O3 — CID 115069185

IUPAC3-(5-methoxy-1-propylpyrazol-4-yl)propanoic acid
SMILESCCCn1ncc(CCC(=O)O)c1OC
InChIInChI=1S/C10H16N2O3/c1-3-6-12-10(15-2)8(7-11-12)4-5-9(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyXLFUAFYSVWIMFO-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.32
Rot. Bonds6

About 3-(5-methoxy-1-propylpyrazol-4-yl)propanoic acid

3-(5-methoxy-1-propylpyrazol-4-yl)propanoic acid (PubChem CID 115069185) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(5-methoxy-1-propylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-methoxy-1-propylpyrazol-4-yl)propanoic acid
PubChem CID115069185
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-(5-methoxy-1-propylpyrazol-4-yl)propanoic acid
SMILESCCCn1ncc(CCC(=O)O)c1OC
InChIInChI=1S/C10H16N2O3/c1-3-6-12-10(15-2)8(7-11-12)4-5-9(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyXLFUAFYSVWIMFO-UHFFFAOYSA-N
XLogP1.32
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]propanoic acid
CID 115069297
5-methoxy-4-methyl-1-propylpyrazole
CID 141420731
3-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid
CID 115038025
1-(4-chloro-1-propylpyrazol-5-yl)pentan-3-one
CID 114663535
3-(5-cyclopropyl-1-methylpyrazol-4-yl)propanoic acid
CID 83830722
1-(4-methoxy-1-propylpyrazol-5-yl)decan-1-one
CID 115810940
3-(4-methoxypyrimidin-5-yl)propanoic acid
CID 82654769
3-(1-tert-butyl-5-chloropyrazol-4-yl)propanoic acid
CID 115038024
2-amino-3,3,3-trifluoro-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114670313
3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)propanoic acid
CID 82525308
3-(1-butylpyrazol-4-yl)propanoic acid
CID 122240441
3-(5-methyl-1-phenylpyrazol-4-yl)propanoic acid
CID 82528795

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1-propylpyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(5-methoxy-1-propylpyrazol-4-yl)propanoic acid (CID 115069185) is 3-(5-methoxy-1-propylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(5-methoxy-1-propylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(5-methoxy-1-propylpyrazol-4-yl)propanoic acid is CCCn1ncc(CCC(=O)O)c1OC.
What is the InChIKey of 3-(5-methoxy-1-propylpyrazol-4-yl)propanoic acid?
The InChIKey is XLFUAFYSVWIMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-6-12-10(15-2)8(7-11-12)4-5-9(13)14/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 3-(5-methoxy-1-propylpyrazol-4-yl)propanoic acid?
3-(5-methoxy-1-propylpyrazol-4-yl)propanoic acid has a molecular weight of 212.25 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1-propylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 115069185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).