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

C15H21F3N6O — CID 120956860

IUPAC5-[[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1nn(CC(F)(F)F)c(C)c1Cc1nc(C2CNCCN2C)no1
InChIInChI=1S/C15H21F3N6O/c1-9-11(10(2)24(21-9)8-15(16,17)18)6-13-20-14(22-25-13)12-7-19-4-5-23(12)3/h12,19H,4-8H2,1-3H3
InChIKeyFUHWXCSJNDJBGF-UHFFFAOYSA-N
MW358.37 g/mol
LogP1.61
Rot. Bonds4

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

5-[[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120956860) has the molecular formula C15H21F3N6O and a molecular weight of 358.37 g/mol. Its IUPAC name is 5-[[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120956860
Molecular FormulaC15H21F3N6O
Molecular Weight358.37 g/mol
Exact Mass358.17
IUPAC Name5-[[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1nn(CC(F)(F)F)c(C)c1Cc1nc(C2CNCCN2C)no1
InChIInChI=1S/C15H21F3N6O/c1-9-11(10(2)24(21-9)8-15(16,17)18)6-13-20-14(22-25-13)12-7-19-4-5-23(12)3/h12,19H,4-8H2,1-3H3
InChIKeyFUHWXCSJNDJBGF-UHFFFAOYSA-N
XLogP1.61
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole 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-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120956860) is 5-[[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is Cc1nn(CC(F)(F)F)c(C)c1Cc1nc(C2CNCCN2C)no1.
What is the InChIKey of 5-[[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is FUHWXCSJNDJBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N6O/c1-9-11(10(2)24(21-9)8-15(16,17)18)6-13-20-14(22-25-13)12-7-19-4-5-23(12)3/h12,19H,4-8H2,1-3H3.
What are the key properties of 5-[[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-[[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 358.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120956860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).