5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-1,2,4-triazole

C8H8F3N5 — CID 91371822

IUPAC5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-1,2,4-triazole
SMILESCC(c1ncn[nH]1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N5/c1-5(7-12-4-13-14-7)16-3-2-6(15-16)8(9,10)11/h2-5H,1H3,(H,12,13,14)
InChIKeyOIUABXXGMBSBJA-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.63
Rot. Bonds2

About 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-1,2,4-triazole

5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-1,2,4-triazole (PubChem CID 91371822) has the molecular formula C8H8F3N5 and a molecular weight of 231.18 g/mol. Its IUPAC name is 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-1,2,4-triazole
PubChem CID91371822
Molecular FormulaC8H8F3N5
Molecular Weight231.18 g/mol
Exact Mass231.07
IUPAC Name5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-1,2,4-triazole
SMILESCC(c1ncn[nH]1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N5/c1-5(7-12-4-13-14-7)16-3-2-6(15-16)8(9,10)11/h2-5H,1H3,(H,12,13,14)
InChIKeyOIUABXXGMBSBJA-UHFFFAOYSA-N
XLogP1.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-1,2,4-triazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-1,2,4-triazole (CID 91371822) is 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-1,2,4-triazole is CC(c1ncn[nH]1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-1,2,4-triazole?
The InChIKey is OIUABXXGMBSBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5/c1-5(7-12-4-13-14-7)16-3-2-6(15-16)8(9,10)11/h2-5H,1H3,(H,12,13,14).
What are the key properties of 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-1,2,4-triazole?
5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-1,2,4-triazole has a molecular weight of 231.18 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-1,2,4-triazole is sourced from PubChem (CID 91371822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).