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

C8H11FN2O2 — CID 84660497

IUPAC3-[1-(2-fluoroethyl)pyrazol-4-yl]propanoic acid
SMILESO=C(O)CCc1cnn(CCF)c1
InChIInChI=1S/C8H11FN2O2/c9-3-4-11-6-7(5-10-11)1-2-8(12)13/h5-6H,1-4H2,(H,12,13)
InChIKeyUBKNYLKFADGBKZ-UHFFFAOYSA-N
MW186.19 g/mol
LogP0.87
Rot. Bonds5

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

3-[1-(2-fluoroethyl)pyrazol-4-yl]propanoic acid (PubChem CID 84660497) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 3-[1-(2-fluoroethyl)pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-fluoroethyl)pyrazol-4-yl]propanoic acid
PubChem CID84660497
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name3-[1-(2-fluoroethyl)pyrazol-4-yl]propanoic acid
SMILESO=C(O)CCc1cnn(CCF)c1
InChIInChI=1S/C8H11FN2O2/c9-3-4-11-6-7(5-10-11)1-2-8(12)13/h5-6H,1-4H2,(H,12,13)
InChIKeyUBKNYLKFADGBKZ-UHFFFAOYSA-N
XLogP0.87
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(1R,2R)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
CID 51888174
3-(1-methyl-1H-pyrazol-4-yl)propanoic acid
CID 7017681
3-methyl-2-(1-methyl-1H-pyrazol-4-yl)butanoic acid
CID 62395396
2-amino-3-(1-methyl-1H-pyrazol-4-yl)propanoic acid dihydrochloride
CID 54592985
2-(1-ethyl-1H-pyrazol-4-yl)-3-methylbutanoic acid
CID 62394873
2-hydroxy-3-(1-methyl-1H-pyrazol-4-yl)propanoic acid
CID 65946178
2-(1-methyl-1H-pyrazol-4-yl)cyclopentane-1-carboxylic acid
CID 81008085
3-(1-methyl-1H-pyrazol-4-yl)butanoic acid
CID 81009246
rac-(1R,2R)-2-[1-(propan-2-yl)-1H-pyrazol-4-yl]cyclopropane-1-carboxylic acid
CID 97616592
1-methyl-3-(1-methyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid dihydrochloride
CID 137832751
ethyl (3E)-3-(dimethylhydrazinylidene)-2,2-difluoro-3-(1-methylpyrazol-4-yl)propanoate
CID 135044340
2-amino-3-(1-methyl-1H-pyrazol-4-yl)propanoic acid
CID 18784710

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluoroethyl)pyrazol-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2-fluoroethyl)pyrazol-4-yl]propanoic acid (CID 84660497) is 3-[1-(2-fluoroethyl)pyrazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-fluoroethyl)pyrazol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-fluoroethyl)pyrazol-4-yl]propanoic acid is O=C(O)CCc1cnn(CCF)c1.
What is the InChIKey of 3-[1-(2-fluoroethyl)pyrazol-4-yl]propanoic acid?
The InChIKey is UBKNYLKFADGBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c9-3-4-11-6-7(5-10-11)1-2-8(12)13/h5-6H,1-4H2,(H,12,13).
What are the key properties of 3-[1-(2-fluoroethyl)pyrazol-4-yl]propanoic acid?
3-[1-(2-fluoroethyl)pyrazol-4-yl]propanoic acid has a molecular weight of 186.19 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoroethyl)pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 84660497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).