2-(3-fluoro-5-methylpyrazol-1-yl)acetic acid

C6H7FN2O2 — CID 135394262

IUPAC2-(3-fluoro-5-methylpyrazol-1-yl)acetic acid
SMILESCc1cc(F)nn1CC(=O)O
InChIInChI=1S/C6H7FN2O2/c1-4-2-5(7)8-9(4)3-6(10)11/h2H,3H2,1H3,(H,10,11)
InChIKeyOZWLYESOJBIHER-UHFFFAOYSA-N
MW158.13 g/mol
LogP0.42
Rot. Bonds2

About 2-(3-fluoro-5-methylpyrazol-1-yl)acetic acid

2-(3-fluoro-5-methylpyrazol-1-yl)acetic acid (PubChem CID 135394262) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-fluoro-5-methylpyrazol-1-yl)acetic acid
PubChem CID135394262
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name2-(3-fluoro-5-methylpyrazol-1-yl)acetic acid
SMILESCc1cc(F)nn1CC(=O)O
InChIInChI=1S/C6H7FN2O2/c1-4-2-5(7)8-9(4)3-6(10)11/h2H,3H2,1H3,(H,10,11)
InChIKeyOZWLYESOJBIHER-UHFFFAOYSA-N
XLogP0.42
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(3-fluoro-5-methylpyrazol-1-yl)acetic acid (CID 135394262) is 2-(3-fluoro-5-methylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-fluoro-5-methylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(3-fluoro-5-methylpyrazol-1-yl)acetic acid is Cc1cc(F)nn1CC(=O)O.
What is the InChIKey of 2-(3-fluoro-5-methylpyrazol-1-yl)acetic acid?
The InChIKey is OZWLYESOJBIHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c1-4-2-5(7)8-9(4)3-6(10)11/h2H,3H2,1H3,(H,10,11).
What are the key properties of 2-(3-fluoro-5-methylpyrazol-1-yl)acetic acid?
2-(3-fluoro-5-methylpyrazol-1-yl)acetic acid has a molecular weight of 158.13 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 135394262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).