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

C10H15FN2O2 — CID 84680320

IUPAC3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propanoic acid
SMILESCC(C)(F)Cn1cc(CCC(=O)O)cn1
InChIInChI=1S/C10H15FN2O2/c1-10(2,11)7-13-6-8(5-12-13)3-4-9(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyKBBDNYLBBGHUCU-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.65
Rot. Bonds5

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

3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propanoic acid (PubChem CID 84680320) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propanoic acid
PubChem CID84680320
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propanoic acid
SMILESCC(C)(F)Cn1cc(CCC(=O)O)cn1
InChIInChI=1S/C10H15FN2O2/c1-10(2,11)7-13-6-8(5-12-13)3-4-9(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyKBBDNYLBBGHUCU-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propanoic acid (CID 84680320) is 3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propanoic acid is CC(C)(F)Cn1cc(CCC(=O)O)cn1.
What is the InChIKey of 3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propanoic acid?
The InChIKey is KBBDNYLBBGHUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-10(2,11)7-13-6-8(5-12-13)3-4-9(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propanoic acid?
3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propanoic acid has a molecular weight of 214.24 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 84680320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).