1-cyclopropyl-6-[[3-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-2-(2,5-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-3-(2,4-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-4-(oxetan-3-yl)triazol-1-yl]methyl]benzotriazole

C82H75F6N23O — CID 167660997

About 1-cyclopropyl-6-[[3-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-2-(2,5-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-3-(2,4-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-4-(oxetan-3-yl)triazol-1-yl]methyl]benzotriazole

1-cyclopropyl-6-[[3-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-2-(2,5-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-3-(2,4-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-4-(oxetan-3-yl)triazol-1-yl]methyl]benzotriazole (PubChem CID 167660997) has the molecular formula C82H75F6N23O and a molecular weight of 1512.65 g/mol. Its IUPAC name is 1-cyclopropyl-6-[[3-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-2-(2,5-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-3-(2,4-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-4-(oxetan-3-yl)triazol-1-yl]methyl]benzotriazole.

Molecular Properties

• Compound Name: 1-cyclopropyl-6-[[3-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-2-(2,5-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-3-(2,4-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-4-(oxetan-3-yl)triazol-1-yl]methyl]benzotriazole
• PubChem CID: 167660997
• Molecular Formula: C82H75F6N23O
• Molecular Weight: 1512.65 g/mol
• Exact Mass: 1511.64
• IUPAC Name: 1-cyclopropyl-6-[[3-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-2-(2,5-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-3-(2,4-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-4-(oxetan-3-yl)triazol-1-yl]methyl]benzotriazole
• SMILES: Fc1ccc(-n2nnc(C3CC3)c2Cc2ccc3nnn(C4CC4)c3c2)c(F)c1.Fc1ccc(F)c(-n2cc(Cc3ccc4nnn(C5CC5)c4c3)c(C3CC3)n2)c1.Fc1ccc(F)c(-n2nc(Cc3ccc4nnn(C5CC5)c4c3)c(C3CC3)n2)c1.c1cc2nnn(C3CC3)c2cc1Cn1nnc(C2COC2)c1C1CC1
• InChI: InChI=1S/C22H19F2N5.2C21H18F2N6.C18H20N6O/c23-16-4-7-18(24)20(11-16)28-12-15(22(26-28)14-2-3-14)9-13-1-8-19-21(10-13)29(27-25-19)17-5-6-17;22-14-4-7-16(23)19(11-14)29-25-18(21(26-29)13-2-3-13)9-12-1-8-17-20(10-12)28(27-24-17)15-5-6-15;22-14-4-8-18(16(23)11-14)29-20(21(25-27-29)13-2-3-13)10-12-1-7-17-19(9-12)28(26-24-17)15-5-6-15;1-6-15-16(24(22-19-15)14-4-5-14)7-11(1)8-23-18(12-2-3-12)17(20-21-23)13-9-25-10-13/h1,4,7-8,10-12,14,17H,2-3,5-6,9H2;1,4,7-8,10-11,13,15H,2-3,5-6,9H2;1,4,7-9,11,13,15H,2-3,5-6,10H2;1,6-7,12-14H,2-5,8-10H2
• InChIKey: RYNDLGGKQZBXER-UHFFFAOYSA-N
• XLogP: 15.28
• TPSA: 242.02 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1512.65
LogP ≤ 5	15.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-[[3-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-2-(2,5-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-3-(2,4-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-4-(oxetan-3-yl)triazol-1-yl]methyl]benzotriazole?

The IUPAC name of 1-cyclopropyl-6-[[3-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-2-(2,5-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-3-(2,4-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-4-(oxetan-3-yl)triazol-1-yl]methyl]benzotriazole (CID 167660997) is 1-cyclopropyl-6-[[3-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-2-(2,5-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-3-(2,4-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-4-(oxetan-3-yl)triazol-1-yl]methyl]benzotriazole.

What is the SMILES notation for 1-cyclopropyl-6-[[3-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-2-(2,5-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-3-(2,4-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-4-(oxetan-3-yl)triazol-1-yl]methyl]benzotriazole?

The canonical SMILES for 1-cyclopropyl-6-[[3-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-2-(2,5-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-3-(2,4-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-4-(oxetan-3-yl)triazol-1-yl]methyl]benzotriazole is Fc1ccc(-n2nnc(C3CC3)c2Cc2ccc3nnn(C4CC4)c3c2)c(F)c1.Fc1ccc(F)c(-n2cc(Cc3ccc4nnn(C5CC5)c4c3)c(C3CC3)n2)c1.Fc1ccc(F)c(-n2nc(Cc3ccc4nnn(C5CC5)c4c3)c(C3CC3)n2)c1.c1cc2nnn(C3CC3)c2cc1Cn1nnc(C2COC2)c1C1CC1.

What is the InChIKey of 1-cyclopropyl-6-[[3-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-2-(2,5-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-3-(2,4-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-4-(oxetan-3-yl)triazol-1-yl]methyl]benzotriazole?

The InChIKey is RYNDLGGKQZBXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5.2C21H18F2N6.C18H20N6O/c23-16-4-7-18(24)20(11-16)28-12-15(22(26-28)14-2-3-14)9-13-1-8-19-21(10-13)29(27-25-19)17-5-6-17;22-14-4-7-16(23)19(11-14)29-25-18(21(26-29)13-2-3-13)9-12-1-8-17-20(10-12)28(27-24-17)15-5-6-15;22-14-4-8-18(16(23)11-14)29-20(21(25-27-29)13-2-3-13)10-12-1-7-17-19(9-12)28(26-24-17)15-5-6-15;1-6-15-16(24(22-19-15)14-4-5-14)7-11(1)8-23-18(12-2-3-12)17(20-21-23)13-9-25-10-13/h1,4,7-8,10-12,14,17H,2-3,5-6,9H2;1,4,7-8,10-11,13,15H,2-3,5-6,9H2;1,4,7-9,11,13,15H,2-3,5-6,10H2;1,6-7,12-14H,2-5,8-10H2.

What are the key properties of 1-cyclopropyl-6-[[3-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-2-(2,5-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-3-(2,4-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-4-(oxetan-3-yl)triazol-1-yl]methyl]benzotriazole?

1-cyclopropyl-6-[[3-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-2-(2,5-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-3-(2,4-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-4-(oxetan-3-yl)triazol-1-yl]methyl]benzotriazole has a molecular weight of 1512.65 g/mol, XLogP of 15.28, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-6-[[3-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-2-(2,5-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-3-(2,4-difluorophenyl)triazol-4-yl]methyl]benzotriazole;1-cyclopropyl-6-[[5-cyclopropyl-4-(oxetan-3-yl)triazol-1-yl]methyl]benzotriazole is sourced from PubChem (CID 167660997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).