2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetic acid

C8H9FN2O2 — CID 81298160

IUPAC2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)n1ccc(C2CC2)n1
InChIInChI=1S/C8H9FN2O2/c9-7(8(12)13)11-4-3-6(10-11)5-1-2-5/h3-5,7H,1-2H2,(H,12,13)
InChIKeyYNFQXTPGBLQYJI-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.31
Rot. Bonds3

About 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetic acid

2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetic acid (PubChem CID 81298160) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetic acid
PubChem CID81298160
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)n1ccc(C2CC2)n1
InChIInChI=1S/C8H9FN2O2/c9-7(8(12)13)11-4-3-6(10-11)5-1-2-5/h3-5,7H,1-2H2,(H,12,13)
InChIKeyYNFQXTPGBLQYJI-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetic acid (CID 81298160) is 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetic acid is O=C(O)C(F)n1ccc(C2CC2)n1.
What is the InChIKey of 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetic acid?
The InChIKey is YNFQXTPGBLQYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c9-7(8(12)13)11-4-3-6(10-11)5-1-2-5/h3-5,7H,1-2H2,(H,12,13).
What are the key properties of 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetic acid?
2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetic acid has a molecular weight of 184.17 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylpyrazol-1-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81298160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).