2-[3-(2,6-difluorophenyl)pyrazol-1-yl]acetic acid

C11H8F2N2O2 — CID 54269672

IUPAC2-[3-(2,6-difluorophenyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(-c2c(F)cccc2F)n1
InChIInChI=1S/C11H8F2N2O2/c12-7-2-1-3-8(13)11(7)9-4-5-15(14-9)6-10(16)17/h1-5H,6H2,(H,16,17)
InChIKeyRJGOMGIXMORUCZ-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.91
Rot. Bonds3

About 2-[3-(2,6-difluorophenyl)pyrazol-1-yl]acetic acid

2-[3-(2,6-difluorophenyl)pyrazol-1-yl]acetic acid (PubChem CID 54269672) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is 2-[3-(2,6-difluorophenyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,6-difluorophenyl)pyrazol-1-yl]acetic acid
PubChem CID54269672
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC Name2-[3-(2,6-difluorophenyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(-c2c(F)cccc2F)n1
InChIInChI=1S/C11H8F2N2O2/c12-7-2-1-3-8(13)11(7)9-4-5-15(14-9)6-10(16)17/h1-5H,6H2,(H,16,17)
InChIKeyRJGOMGIXMORUCZ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-difluorophenyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(2,6-difluorophenyl)pyrazol-1-yl]acetic acid (CID 54269672) is 2-[3-(2,6-difluorophenyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2,6-difluorophenyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2,6-difluorophenyl)pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-[3-(2,6-difluorophenyl)pyrazol-1-yl]acetic acid?
The InChIKey is RJGOMGIXMORUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c12-7-2-1-3-8(13)11(7)9-4-5-15(14-9)6-10(16)17/h1-5H,6H2,(H,16,17).
What are the key properties of 2-[3-(2,6-difluorophenyl)pyrazol-1-yl]acetic acid?
2-[3-(2,6-difluorophenyl)pyrazol-1-yl]acetic acid has a molecular weight of 238.19 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-difluorophenyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 54269672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).