2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene;ethyl 3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxylate;6-fluoro-1-methyl-3-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-4-one

C71H92F11N11O3 — CID 158444759

About 2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene;ethyl 3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxylate;6-fluoro-1-methyl-3-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-4-one

2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene;ethyl 3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxylate;6-fluoro-1-methyl-3-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 158444759) has the molecular formula C71H92F11N11O3 and a molecular weight of 1356.57 g/mol. Its IUPAC name is 2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene;ethyl 3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxylate;6-fluoro-1-methyl-3-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

• Compound Name: 2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene;ethyl 3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxylate;6-fluoro-1-methyl-3-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-4-one
• PubChem CID: 158444759
• Molecular Formula: C71H92F11N11O3
• Molecular Weight: 1356.57 g/mol
• Exact Mass: 1355.72
• IUPAC Name: 2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene;ethyl 3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxylate;6-fluoro-1-methyl-3-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-4-one
• SMILES: CC(C)c1cn(C)c2cc(F)ccc12.CC(C)n1cc(C(F)(F)F)nc1C1CC1.CC(C)n1nc(C(F)(F)F)c2c1CCCC2=O.CC(C)n1nc(C(F)F)c2c1C1CC(C2)C1.CC(C)n1nc(C(F)F)c2c1C1CCC2C1.CCOC(=O)c1nn(C(C)C)c2c1CC1CC2C1
• InChI: InChI=1S/C14H20N2O2.2C12H16F2N2.C12H14FN.C11H13F3N2O.C10H13F3N2/c1-4-18-14(17)12-11-7-9-5-10(6-9)13(11)16(15-12)8(2)3;1-6(2)16-11-8-3-7(4-8)5-9(11)10(15-16)12(13)14;1-6(2)16-11-8-4-3-7(5-8)9(11)10(15-16)12(13)14;1-8(2)11-7-14(3)12-6-9(13)4-5-10(11)12;1-6(2)16-7-4-3-5-8(17)9(7)10(15-16)11(12,13)14;1-6(2)15-5-8(10(11,12)13)14-9(15)7-3-4-7/h8-10H,4-7H2,1-3H3;2*6-8,12H,3-5H2,1-2H3;4-8H,1-3H3;6H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3
• InChIKey: HDGHFRANJRCRHF-UHFFFAOYSA-N
• XLogP: 19.71
• TPSA: 137.40 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1356.57
LogP ≤ 5	19.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene;ethyl 3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxylate;6-fluoro-1-methyl-3-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-4-one?

The IUPAC name of 2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene;ethyl 3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxylate;6-fluoro-1-methyl-3-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-4-one (CID 158444759) is 2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene;ethyl 3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxylate;6-fluoro-1-methyl-3-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-4-one.

What is the SMILES notation for 2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene;ethyl 3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxylate;6-fluoro-1-methyl-3-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-4-one?

The canonical SMILES for 2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene;ethyl 3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxylate;6-fluoro-1-methyl-3-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-4-one is CC(C)c1cn(C)c2cc(F)ccc12.CC(C)n1cc(C(F)(F)F)nc1C1CC1.CC(C)n1nc(C(F)(F)F)c2c1CCCC2=O.CC(C)n1nc(C(F)F)c2c1C1CC(C2)C1.CC(C)n1nc(C(F)F)c2c1C1CCC2C1.CCOC(=O)c1nn(C(C)C)c2c1CC1CC2C1.

What is the InChIKey of 2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene;ethyl 3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxylate;6-fluoro-1-methyl-3-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-4-one?

The InChIKey is HDGHFRANJRCRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.2C12H16F2N2.C12H14FN.C11H13F3N2O.C10H13F3N2/c1-4-18-14(17)12-11-7-9-5-10(6-9)13(11)16(15-12)8(2)3;1-6(2)16-11-8-3-7(4-8)5-9(11)10(15-16)12(13)14;1-6(2)16-11-8-4-3-7(5-8)9(11)10(15-16)12(13)14;1-8(2)11-7-14(3)12-6-9(13)4-5-10(11)12;1-6(2)16-7-4-3-5-8(17)9(7)10(15-16)11(12,13)14;1-6(2)15-5-8(10(11,12)13)14-9(15)7-3-4-7/h8-10H,4-7H2,1-3H3;2*6-8,12H,3-5H2,1-2H3;4-8H,1-3H3;6H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3.

What are the key properties of 2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene;ethyl 3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxylate;6-fluoro-1-methyl-3-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-4-one?

2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene;ethyl 3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxylate;6-fluoro-1-methyl-3-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 1356.57 g/mol, XLogP of 19.71, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene;ethyl 3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxylate;6-fluoro-1-methyl-3-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 158444759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).