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

C11H8F2N2O2 — CID 130277401

IUPAC2-(2,4-difluorophenyl)-2-pyrazol-1-ylacetic acid
SMILESO=C(O)C(c1ccc(F)cc1F)n1cccn1
InChIInChI=1S/C11H8F2N2O2/c12-7-2-3-8(9(13)6-7)10(11(16)17)15-5-1-4-14-15/h1-6,10H,(H,16,17)
InChIKeyNDYOOMIQNDJKNL-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.84
Rot. Bonds3

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

2-(2,4-difluorophenyl)-2-pyrazol-1-ylacetic acid (PubChem CID 130277401) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-pyrazol-1-ylacetic acid.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-pyrazol-1-ylacetic acid
PubChem CID130277401
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC Name2-(2,4-difluorophenyl)-2-pyrazol-1-ylacetic acid
SMILESO=C(O)C(c1ccc(F)cc1F)n1cccn1
InChIInChI=1S/C11H8F2N2O2/c12-7-2-3-8(9(13)6-7)10(11(16)17)15-5-1-4-14-15/h1-6,10H,(H,16,17)
InChIKeyNDYOOMIQNDJKNL-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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Related Compounds

4-(1H-pyrazol-1-ylmethyl)benzoic acid
CID 6484268
2-Amino-2-(4-pyrazol-1-ylphenyl)acetic acid;hydrochloride
CID 118723771
4-(4-methylphenyl)-4-oxo-2-(1H-pyrazol-1-yl)butanoic acid
CID 2951417
Benzeneacetic acid, 4-(1H-pyrazol-1-ylmethyl)-
CID 10262749
2-(4-(1H-pyrazol-1-yl)phenyl)acetic acid
CID 12094244
2-phenyl-2-(1H-pyrazol-1-yl)acetic acid
CID 13047015
2-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]acetic acid
CID 14770001
9-(4-Phenyl-pyrazol-1-yl)-nonanoic acid
CID 15725731
1-[3-(3-fluorophenyl)propanoyl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56885235
(2,4-difluorophenyl){methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}acetic acid
CID 72888119
2-(2-fluorophenyl)-2-(1H-pyrrol-1-yl)acetic acid
CID 14264355
2-amino-2-(1-benzyl-1H-pyrazol-4-yl)acetic acid
CID 83439226

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-pyrazol-1-ylacetic acid?
The IUPAC name of 2-(2,4-difluorophenyl)-2-pyrazol-1-ylacetic acid (CID 130277401) is 2-(2,4-difluorophenyl)-2-pyrazol-1-ylacetic acid.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-pyrazol-1-ylacetic acid?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-pyrazol-1-ylacetic acid is O=C(O)C(c1ccc(F)cc1F)n1cccn1.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-pyrazol-1-ylacetic acid?
The InChIKey is NDYOOMIQNDJKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c12-7-2-3-8(9(13)6-7)10(11(16)17)15-5-1-4-14-15/h1-6,10H,(H,16,17).
What are the key properties of 2-(2,4-difluorophenyl)-2-pyrazol-1-ylacetic acid?
2-(2,4-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-(2,4-difluorophenyl)-2-pyrazol-1-ylacetic acid is sourced from PubChem (CID 130277401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).