2-fluoro-2-(4-methoxypyrazol-1-yl)acetic acid

C6H7FN2O3 — CID 130511162

IUPAC2-fluoro-2-(4-methoxypyrazol-1-yl)acetic acid
SMILESCOc1cnn(C(F)C(=O)O)c1
InChIInChI=1S/C6H7FN2O3/c1-12-4-2-8-9(3-4)5(7)6(10)11/h2-3,5H,1H3,(H,10,11)
InChIKeyPCQYGHVHOCJDIY-UHFFFAOYSA-N
MW174.13 g/mol
LogP0.44
Rot. Bonds3

About 2-fluoro-2-(4-methoxypyrazol-1-yl)acetic acid

2-fluoro-2-(4-methoxypyrazol-1-yl)acetic acid (PubChem CID 130511162) has the molecular formula C6H7FN2O3 and a molecular weight of 174.13 g/mol. Its IUPAC name is 2-fluoro-2-(4-methoxypyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(4-methoxypyrazol-1-yl)acetic acid
PubChem CID130511162
Molecular FormulaC6H7FN2O3
Molecular Weight174.13 g/mol
Exact Mass174.04
IUPAC Name2-fluoro-2-(4-methoxypyrazol-1-yl)acetic acid
SMILESCOc1cnn(C(F)C(=O)O)c1
InChIInChI=1S/C6H7FN2O3/c1-12-4-2-8-9(3-4)5(7)6(10)11/h2-3,5H,1H3,(H,10,11)
InChIKeyPCQYGHVHOCJDIY-UHFFFAOYSA-N
XLogP0.44
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-methoxypyrazol-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(4-methoxypyrazol-1-yl)acetic acid (CID 130511162) is 2-fluoro-2-(4-methoxypyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(4-methoxypyrazol-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(4-methoxypyrazol-1-yl)acetic acid is COc1cnn(C(F)C(=O)O)c1.
What is the InChIKey of 2-fluoro-2-(4-methoxypyrazol-1-yl)acetic acid?
The InChIKey is PCQYGHVHOCJDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O3/c1-12-4-2-8-9(3-4)5(7)6(10)11/h2-3,5H,1H3,(H,10,11).
What are the key properties of 2-fluoro-2-(4-methoxypyrazol-1-yl)acetic acid?
2-fluoro-2-(4-methoxypyrazol-1-yl)acetic acid has a molecular weight of 174.13 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-methoxypyrazol-1-yl)acetic acid is sourced from PubChem (CID 130511162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).