2-(3,4-difluorophenyl)-2-pyrazol-1-ylacetic acid

C11H8F2N2O2 — CID 68687960

IUPAC2-(3,4-difluorophenyl)-2-pyrazol-1-ylacetic acid
SMILESO=C(O)C(c1ccc(F)c(F)c1)n1cccn1
InChIInChI=1S/C11H8F2N2O2/c12-8-3-2-7(6-9(8)13)10(11(16)17)15-5-1-4-14-15/h1-6,10H,(H,16,17)
InChIKeyGNJKETGGZBUMGY-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.84
Rot. Bonds3

About 2-(3,4-difluorophenyl)-2-pyrazol-1-ylacetic acid

2-(3,4-difluorophenyl)-2-pyrazol-1-ylacetic acid (PubChem CID 68687960) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-pyrazol-1-ylacetic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-pyrazol-1-ylacetic acid
PubChem CID68687960
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC Name2-(3,4-difluorophenyl)-2-pyrazol-1-ylacetic acid
SMILESO=C(O)C(c1ccc(F)c(F)c1)n1cccn1
InChIInChI=1S/C11H8F2N2O2/c12-8-3-2-7(6-9(8)13)10(11(16)17)15-5-1-4-14-15/h1-6,10H,(H,16,17)
InChIKeyGNJKETGGZBUMGY-UHFFFAOYSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-pyrazol-1-ylacetic acid?
The IUPAC name of 2-(3,4-difluorophenyl)-2-pyrazol-1-ylacetic acid (CID 68687960) is 2-(3,4-difluorophenyl)-2-pyrazol-1-ylacetic acid.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-pyrazol-1-ylacetic acid?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-pyrazol-1-ylacetic acid is O=C(O)C(c1ccc(F)c(F)c1)n1cccn1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-pyrazol-1-ylacetic acid?
The InChIKey is GNJKETGGZBUMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c12-8-3-2-7(6-9(8)13)10(11(16)17)15-5-1-4-14-15/h1-6,10H,(H,16,17).
What are the key properties of 2-(3,4-difluorophenyl)-2-pyrazol-1-ylacetic acid?
2-(3,4-difluorophenyl)-2-pyrazol-1-ylacetic acid has a molecular weight of 238.19 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-pyrazol-1-ylacetic acid is sourced from PubChem (CID 68687960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).