3-[5-fluoro-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid

C10H15FN2O2 — CID 115028694

IUPAC3-[5-fluoro-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid
SMILESCC(C)Cn1ncc(CCC(=O)O)c1F
InChIInChI=1S/C10H15FN2O2/c1-7(2)6-13-10(11)8(5-12-13)3-4-9(14)15/h5,7H,3-4,6H2,1-2H3,(H,14,15)
InChIKeySOIXMHAACWMKGU-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.70
Rot. Bonds5

About 3-[5-fluoro-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid

3-[5-fluoro-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid (PubChem CID 115028694) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 3-[5-fluoro-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-fluoro-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid
PubChem CID115028694
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name3-[5-fluoro-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid
SMILESCC(C)Cn1ncc(CCC(=O)O)c1F
InChIInChI=1S/C10H15FN2O2/c1-7(2)6-13-10(11)8(5-12-13)3-4-9(14)15/h5,7H,3-4,6H2,1-2H3,(H,14,15)
InChIKeySOIXMHAACWMKGU-UHFFFAOYSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid?
The IUPAC name of 3-[5-fluoro-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid (CID 115028694) is 3-[5-fluoro-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[5-fluoro-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid?
The canonical SMILES for 3-[5-fluoro-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid is CC(C)Cn1ncc(CCC(=O)O)c1F.
What is the InChIKey of 3-[5-fluoro-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid?
The InChIKey is SOIXMHAACWMKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-7(2)6-13-10(11)8(5-12-13)3-4-9(14)15/h5,7H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 3-[5-fluoro-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid?
3-[5-fluoro-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid has a molecular weight of 214.24 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 115028694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).