3-cyclopropyl-5-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2,4-oxadiazole

C20H19F3N4O — CID 24826276

IUPAC3-cyclopropyl-5-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1nn(-c2ccc(Cc3nc(C4CC4)no3)cc2)c2c1CCCC2
InChIInChI=1S/C20H19F3N4O/c21-20(22,23)18-15-3-1-2-4-16(15)27(25-18)14-9-5-12(6-10-14)11-17-24-19(26-28-17)13-7-8-13/h5-6,9-10,13H,1-4,7-8,11H2
InChIKeyNYLLRENBDSUWEM-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.62
Rot. Bonds4

About 3-cyclopropyl-5-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2,4-oxadiazole (PubChem CID 24826276) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2,4-oxadiazole
PubChem CID24826276
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name3-cyclopropyl-5-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1nn(-c2ccc(Cc3nc(C4CC4)no3)cc2)c2c1CCCC2
InChIInChI=1S/C20H19F3N4O/c21-20(22,23)18-15-3-1-2-4-16(15)27(25-18)14-9-5-12(6-10-14)11-17-24-19(26-28-17)13-7-8-13/h5-6,9-10,13H,1-4,7-8,11H2
InChIKeyNYLLRENBDSUWEM-UHFFFAOYSA-N
XLogP4.62
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2,4-oxadiazole (CID 24826276) is 3-cyclopropyl-5-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2,4-oxadiazole is FC(F)(F)c1nn(-c2ccc(Cc3nc(C4CC4)no3)cc2)c2c1CCCC2.
What is the InChIKey of 3-cyclopropyl-5-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2,4-oxadiazole?
The InChIKey is NYLLRENBDSUWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c21-20(22,23)18-15-3-1-2-4-16(15)27(25-18)14-9-5-12(6-10-14)11-17-24-19(26-28-17)13-7-8-13/h5-6,9-10,13H,1-4,7-8,11H2.
What are the key properties of 3-cyclopropyl-5-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2,4-oxadiazole has a molecular weight of 388.39 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 24826276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).