2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid

C7H9FN2O2 — CID 84654305

IUPAC2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid
SMILESCC(F)(Cn1cccn1)C(=O)O
InChIInChI=1S/C7H9FN2O2/c1-7(8,6(11)12)5-10-4-2-3-9-10/h2-4H,5H2,1H3,(H,11,12)
InChIKeyFRZQLIRIFSHKME-UHFFFAOYSA-N
MW172.16 g/mol
LogP0.70
Rot. Bonds3

About 2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid

2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid (PubChem CID 84654305) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is 2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid.

Molecular Properties

Compound Name2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid
PubChem CID84654305
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid
SMILESCC(F)(Cn1cccn1)C(=O)O
InChIInChI=1S/C7H9FN2O2/c1-7(8,6(11)12)5-10-4-2-3-9-10/h2-4H,5H2,1H3,(H,11,12)
InChIKeyFRZQLIRIFSHKME-UHFFFAOYSA-N
XLogP0.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(pyrazol-1-ylmethylsulfanyl)propanoic acid
CID 107421591
2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(pyrazol-1-ylmethyl)propanoic acid
CID 76518935
3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid
CID 79795735
2-methyl-2-(2-pyrazol-1-ylethylsulfonyl)propanoic acid
CID 81229830
2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid
CID 81367964
2-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methylpropanoic acid
CID 62822178
2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
CID 79792060
2-(pyrazol-1-ylmethylsulfanyl)acetic acid
CID 107421560
2-methyl-2-[methyl(3-pyrazol-1-ylpropanoyl)amino]propanoic acid
CID 62817737
1-[2-(difluoromethoxy)-2-methylpropyl]pyrazole
CID 172621831
(2S)-2-fluoro-2-methylbutanoic acid
CID 18651777
2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
CID 79806989

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid?
The IUPAC name of 2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid (CID 84654305) is 2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid.
What is the SMILES notation for 2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid?
The canonical SMILES for 2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid is CC(F)(Cn1cccn1)C(=O)O.
What is the InChIKey of 2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid?
The InChIKey is FRZQLIRIFSHKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-7(8,6(11)12)5-10-4-2-3-9-10/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid?
2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid has a molecular weight of 172.16 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-3-pyrazol-1-ylpropanoic acid is sourced from PubChem (CID 84654305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).