2-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid

C7H8BrFN2O2 — CID 81297482

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid
SMILESCc1nn(C(F)C(=O)O)c(C)c1Br
InChIInChI=1S/C7H8BrFN2O2/c1-3-5(8)4(2)11(10-3)6(9)7(12)13/h6H,1-2H3,(H,12,13)
InChIKeyGFMGYELKNWFPMB-UHFFFAOYSA-N
MW251.05 g/mol
LogP1.82
Rot. Bonds2

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid (PubChem CID 81297482) has the molecular formula C7H8BrFN2O2 and a molecular weight of 251.05 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid
PubChem CID81297482
Molecular FormulaC7H8BrFN2O2
Molecular Weight251.05 g/mol
Exact Mass249.98
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid
SMILESCc1nn(C(F)C(=O)O)c(C)c1Br
InChIInChI=1S/C7H8BrFN2O2/c1-3-5(8)4(2)11(10-3)6(9)7(12)13/h6H,1-2H3,(H,12,13)
InChIKeyGFMGYELKNWFPMB-UHFFFAOYSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.05
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid (CID 81297482) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid is Cc1nn(C(F)C(=O)O)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid?
The InChIKey is GFMGYELKNWFPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrFN2O2/c1-3-5(8)4(2)11(10-3)6(9)7(12)13/h6H,1-2H3,(H,12,13).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid has a molecular weight of 251.05 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81297482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).