5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

C11H14F3N5 — CID 72868276

IUPAC5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCc1nc(Cc2c(C)n[nH]c2C)n(CC(F)(F)F)n1
InChIInChI=1S/C11H14F3N5/c1-6-9(7(2)17-16-6)4-10-15-8(3)18-19(10)5-11(12,13)14/h4-5H2,1-3H3,(H,16,17)
InChIKeyZOPZXABTVFWDHS-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.08
Rot. Bonds3

About 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (PubChem CID 72868276) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
PubChem CID72868276
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCc1nc(Cc2c(C)n[nH]c2C)n(CC(F)(F)F)n1
InChIInChI=1S/C11H14F3N5/c1-6-9(7(2)17-16-6)4-10-15-8(3)18-19(10)5-11(12,13)14/h4-5H2,1-3H3,(H,16,17)
InChIKeyZOPZXABTVFWDHS-UHFFFAOYSA-N
XLogP2.08
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(2,2,2-trifluoroethyl)-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-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (CID 72868276) is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The canonical SMILES for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is Cc1nc(Cc2c(C)n[nH]c2C)n(CC(F)(F)F)n1.
What is the InChIKey of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The InChIKey is ZOPZXABTVFWDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-6-9(7(2)17-16-6)4-10-15-8(3)18-19(10)5-11(12,13)14/h4-5H2,1-3H3,(H,16,17).
What are the key properties of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole has a molecular weight of 273.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 72868276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).