1-phenyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]triazole

C13H10F3N5 — CID 166208564

IUPAC1-phenyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]triazole
SMILESFC(F)(F)c1cnn(Cc2cnnn2-c2ccccc2)c1
InChIInChI=1S/C13H10F3N5/c14-13(15,16)10-6-18-20(8-10)9-12-7-17-19-21(12)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyVBMIYORHFITKSB-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.53
Rot. Bonds3

About 1-phenyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]triazole

1-phenyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]triazole (PubChem CID 166208564) has the molecular formula C13H10F3N5 and a molecular weight of 293.25 g/mol. Its IUPAC name is 1-phenyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]triazole.

Molecular Properties

Compound Name1-phenyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]triazole
PubChem CID166208564
Molecular FormulaC13H10F3N5
Molecular Weight293.25 g/mol
Exact Mass293.09
IUPAC Name1-phenyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]triazole
SMILESFC(F)(F)c1cnn(Cc2cnnn2-c2ccccc2)c1
InChIInChI=1S/C13H10F3N5/c14-13(15,16)10-6-18-20(8-10)9-12-7-17-19-21(12)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyVBMIYORHFITKSB-UHFFFAOYSA-N
XLogP2.53
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-phenyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]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 1-phenyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]triazole?
The IUPAC name of 1-phenyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]triazole (CID 166208564) is 1-phenyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]triazole.
What is the SMILES notation for 1-phenyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]triazole?
The canonical SMILES for 1-phenyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]triazole is FC(F)(F)c1cnn(Cc2cnnn2-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]triazole?
The InChIKey is VBMIYORHFITKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5/c14-13(15,16)10-6-18-20(8-10)9-12-7-17-19-21(12)11-4-2-1-3-5-11/h1-8H,9H2.
What are the key properties of 1-phenyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]triazole?
1-phenyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]triazole has a molecular weight of 293.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]triazole is sourced from PubChem (CID 166208564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).