4-hydroxy-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid

C6H5F3N2O3 — CID 131585108

IUPAC4-hydroxy-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(CC(F)(F)F)cc1O
InChIInChI=1S/C6H5F3N2O3/c7-6(8,9)2-11-1-3(12)4(10-11)5(13)14/h1,12H,2H2,(H,13,14)
InChIKeyYFYFNJJKMFTZHC-UHFFFAOYSA-N
MW210.11 g/mol
LogP0.85
Rot. Bonds2

About 4-hydroxy-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid

4-hydroxy-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid (PubChem CID 131585108) has the molecular formula C6H5F3N2O3 and a molecular weight of 210.11 g/mol. Its IUPAC name is 4-hydroxy-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid
PubChem CID131585108
Molecular FormulaC6H5F3N2O3
Molecular Weight210.11 g/mol
Exact Mass210.03
IUPAC Name4-hydroxy-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(CC(F)(F)F)cc1O
InChIInChI=1S/C6H5F3N2O3/c7-6(8,9)2-11-1-3(12)4(10-11)5(13)14/h1,12H,2H2,(H,13,14)
InChIKeyYFYFNJJKMFTZHC-UHFFFAOYSA-N
XLogP0.85
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid (CID 131585108) is 4-hydroxy-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid is O=C(O)c1nn(CC(F)(F)F)cc1O.
What is the InChIKey of 4-hydroxy-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid?
The InChIKey is YFYFNJJKMFTZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O3/c7-6(8,9)2-11-1-3(12)4(10-11)5(13)14/h1,12H,2H2,(H,13,14).
What are the key properties of 4-hydroxy-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid?
4-hydroxy-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid has a molecular weight of 210.11 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 131585108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).