5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid

C8H5F3N4O3 — CID 169162777

IUPAC5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(-c2cnn(CC(F)(F)F)c2)o1
InChIInChI=1S/C8H5F3N4O3/c9-8(10,11)3-15-2-4(1-12-15)5-13-14-6(18-5)7(16)17/h1-2H,3H2,(H,16,17)
InChIKeyFIBODIUNDLBFSA-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.19
Rot. Bonds3

About 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid

5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 169162777) has the molecular formula C8H5F3N4O3 and a molecular weight of 262.15 g/mol. Its IUPAC name is 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID169162777
Molecular FormulaC8H5F3N4O3
Molecular Weight262.15 g/mol
Exact Mass262.03
IUPAC Name5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(-c2cnn(CC(F)(F)F)c2)o1
InChIInChI=1S/C8H5F3N4O3/c9-8(10,11)3-15-2-4(1-12-15)5-13-14-6(18-5)7(16)17/h1-2H,3H2,(H,16,17)
InChIKeyFIBODIUNDLBFSA-UHFFFAOYSA-N
XLogP1.19
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lithium 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylate
CID 169162776
Ethyl 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylate
CID 169163268
5-[1-(Trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde
CID 169165177
5-[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid;uranium
CID 169166639
5-[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbonyl chloride
CID 169166888
Lithium;5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde;hydroxide
CID 169769688
5-[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde
CID 169769689
2-Methyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole
CID 170383288
5-[1-(2,2-Difluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde
CID 176371321
5-[1-(Difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde
CID 176371463
1-[5-(1-Methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanone
CID 170145408
Lithium 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate
CID 177312509

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid (CID 169162777) is 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid is O=C(O)c1nnc(-c2cnn(CC(F)(F)F)c2)o1.
What is the InChIKey of 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is FIBODIUNDLBFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O3/c9-8(10,11)3-15-2-4(1-12-15)5-13-14-6(18-5)7(16)17/h1-2H,3H2,(H,16,17).
What are the key properties of 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid?
5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 262.15 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 169162777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).