2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;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;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;5-(1-ethoxyethenyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;6-fluoro-1-methyl-3-propan-2-ylindole;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene

C180H237F29N28O5 — CID 160930245

IUPAC2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;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;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;5-(1-ethoxyethenyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;6-fluoro-1-methyl-3-propan-2-ylindole;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
SMILESC=C(OCC)c1nn(C(C)C)c2c1C1CCC2C1.CC(C)c1cn(C)c2cc(F)ccc12.CC(C)n1cc(C(F)(F)F)nc1C1CC1.CC(C)n1cc(C(F)(F)F)nc1C1CCCC1.CC(C)n1cc(C(F)(F)F)nc1COCc1ccccc1.CC(C)n1ccc2ccccc21.CC(C)n1nc(C(C)(F)F)c2c1CCOC2.CC(C)n1nc(C(C)(F)F)c2c1COCC2.CC(C)n1nc(C(F)(F)F)c2c1C1CCC2(C)C1(C)C.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2(F)F.CC(C)n1nc(C(F)F)c2c1C1CC(C2)C1.CC(C)n1nc(C(F)F)c2c1C1CCC2C1.CC(C)n1nc(C=O)c2c1C1CC(C2)C1.CC(C)n1ncc2ccccc21
InChIInChI=1S/C15H17F3N2O.C15H21F3N2.C15H22N2O.C12H17F3N2.2C12H16F2N2.C12H14FN.C12H16N2O.C11H13F5N2.C11H15F3N2.2C11H16F2N2O.C11H13N.C10H13F3N2.C10H12N2/c1-11(2)20-8-13(15(16,17)18)19-14(20)10-21-9-12-6-4-3-5-7-12;1-8(2)20-11-9-6-7-14(5,13(9,3)4)10(11)12(19-20)15(16,17)18;1-5-18-10(4)14-13-11-6-7-12(8-11)15(13)17(16-14)9(2)3;1-8(2)17-7-10(12(13,14)15)16-11(17)9-5-3-4-6-9;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;1-7(2)14-12-9-3-8(4-9)5-10(12)11(6-15)13-14;1-6(2)18-7-4-3-5-10(12,13)8(7)9(17-18)11(14,15)16;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)13;1-7(2)15-9-6-16-5-4-8(9)10(14-15)11(3,12)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-6(2)15-5-8(10(11,12)13)14-9(15)7-3-4-7;1-8(2)12-10-6-4-3-5-9(10)7-11-12/h3-8,11H,9-10H2,1-2H3;8-9H,6-7H2,1-5H3;9,11-12H,4-8H2,1-3H3;7-9H,3-6H2,1-2H3;2*6-8,12H,3-5H2,1-2H3;4-8H,1-3H3;6-9H,3-5H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3;2*7H,4-6H2,1-3H3;3-9H,1-2H3;5-7H,3-4H2,1-2H3;3-8H,1-2H3
InChIKeySTEAOGXSXZSWMR-UHFFFAOYSA-N
MW3424.01 g/mol
LogP51.59
Rot. Bonds29

About 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;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;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;5-(1-ethoxyethenyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;6-fluoro-1-methyl-3-propan-2-ylindole;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene

2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;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;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;5-(1-ethoxyethenyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;6-fluoro-1-methyl-3-propan-2-ylindole;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene (PubChem CID 160930245) has the molecular formula C180H237F29N28O5 and a molecular weight of 3424.01 g/mol. Its IUPAC name is 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;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;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;5-(1-ethoxyethenyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;6-fluoro-1-methyl-3-propan-2-ylindole;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene.

Molecular Properties

Compound Name2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;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;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;5-(1-ethoxyethenyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;6-fluoro-1-methyl-3-propan-2-ylindole;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
PubChem CID160930245
Molecular FormulaC180H237F29N28O5
Molecular Weight3424.01 g/mol
Exact Mass3421.87
IUPAC Name2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;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;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;5-(1-ethoxyethenyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;6-fluoro-1-methyl-3-propan-2-ylindole;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
SMILESC=C(OCC)c1nn(C(C)C)c2c1C1CCC2C1.CC(C)c1cn(C)c2cc(F)ccc12.CC(C)n1cc(C(F)(F)F)nc1C1CC1.CC(C)n1cc(C(F)(F)F)nc1C1CCCC1.CC(C)n1cc(C(F)(F)F)nc1COCc1ccccc1.CC(C)n1ccc2ccccc21.CC(C)n1nc(C(C)(F)F)c2c1CCOC2.CC(C)n1nc(C(C)(F)F)c2c1COCC2.CC(C)n1nc(C(F)(F)F)c2c1C1CCC2(C)C1(C)C.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2(F)F.CC(C)n1nc(C(F)F)c2c1C1CC(C2)C1.CC(C)n1nc(C(F)F)c2c1C1CCC2C1.CC(C)n1nc(C=O)c2c1C1CC(C2)C1.CC(C)n1ncc2ccccc21
InChIInChI=1S/C15H17F3N2O.C15H21F3N2.C15H22N2O.C12H17F3N2.2C12H16F2N2.C12H14FN.C12H16N2O.C11H13F5N2.C11H15F3N2.2C11H16F2N2O.C11H13N.C10H13F3N2.C10H12N2/c1-11(2)20-8-13(15(16,17)18)19-14(20)10-21-9-12-6-4-3-5-7-12;1-8(2)20-11-9-6-7-14(5,13(9,3)4)10(11)12(19-20)15(16,17)18;1-5-18-10(4)14-13-11-6-7-12(8-11)15(13)17(16-14)9(2)3;1-8(2)17-7-10(12(13,14)15)16-11(17)9-5-3-4-6-9;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;1-7(2)14-12-9-3-8(4-9)5-10(12)11(6-15)13-14;1-6(2)18-7-4-3-5-10(12,13)8(7)9(17-18)11(14,15)16;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)13;1-7(2)15-9-6-16-5-4-8(9)10(14-15)11(3,12)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-6(2)15-5-8(10(11,12)13)14-9(15)7-3-4-7;1-8(2)12-10-6-4-3-5-9(10)7-11-12/h3-8,11H,9-10H2,1-2H3;8-9H,6-7H2,1-5H3;9,11-12H,4-8H2,1-3H3;7-9H,3-6H2,1-2H3;2*6-8,12H,3-5H2,1-2H3;4-8H,1-3H3;6-9H,3-5H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3;2*7H,4-6H2,1-3H3;3-9H,1-2H3;5-7H,3-4H2,1-2H3;3-8H,1-2H3
InChIKeySTEAOGXSXZSWMR-UHFFFAOYSA-N
XLogP51.59
TPSA295.51 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds29
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003424.01
LogP ≤ 551.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;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;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;5-(1-ethoxyethenyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;6-fluoro-1-methyl-3-propan-2-ylindole;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;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;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;5-(1-ethoxyethenyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;6-fluoro-1-methyl-3-propan-2-ylindole;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The IUPAC name of 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;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;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;5-(1-ethoxyethenyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;6-fluoro-1-methyl-3-propan-2-ylindole;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene (CID 160930245) is 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;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;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;5-(1-ethoxyethenyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;6-fluoro-1-methyl-3-propan-2-ylindole;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene.
What is the SMILES notation for 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;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;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;5-(1-ethoxyethenyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;6-fluoro-1-methyl-3-propan-2-ylindole;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The canonical SMILES for 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;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;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;5-(1-ethoxyethenyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;6-fluoro-1-methyl-3-propan-2-ylindole;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene is C=C(OCC)c1nn(C(C)C)c2c1C1CCC2C1.CC(C)c1cn(C)c2cc(F)ccc12.CC(C)n1cc(C(F)(F)F)nc1C1CC1.CC(C)n1cc(C(F)(F)F)nc1C1CCCC1.CC(C)n1cc(C(F)(F)F)nc1COCc1ccccc1.CC(C)n1ccc2ccccc21.CC(C)n1nc(C(C)(F)F)c2c1CCOC2.CC(C)n1nc(C(C)(F)F)c2c1COCC2.CC(C)n1nc(C(F)(F)F)c2c1C1CCC2(C)C1(C)C.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2(F)F.CC(C)n1nc(C(F)F)c2c1C1CC(C2)C1.CC(C)n1nc(C(F)F)c2c1C1CCC2C1.CC(C)n1nc(C=O)c2c1C1CC(C2)C1.CC(C)n1ncc2ccccc21.
What is the InChIKey of 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;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;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;5-(1-ethoxyethenyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;6-fluoro-1-methyl-3-propan-2-ylindole;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
The InChIKey is STEAOGXSXZSWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O.C15H21F3N2.C15H22N2O.C12H17F3N2.2C12H16F2N2.C12H14FN.C12H16N2O.C11H13F5N2.C11H15F3N2.2C11H16F2N2O.C11H13N.C10H13F3N2.C10H12N2/c1-11(2)20-8-13(15(16,17)18)19-14(20)10-21-9-12-6-4-3-5-7-12;1-8(2)20-11-9-6-7-14(5,13(9,3)4)10(11)12(19-20)15(16,17)18;1-5-18-10(4)14-13-11-6-7-12(8-11)15(13)17(16-14)9(2)3;1-8(2)17-7-10(12(13,14)15)16-11(17)9-5-3-4-6-9;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;1-7(2)14-12-9-3-8(4-9)5-10(12)11(6-15)13-14;1-6(2)18-7-4-3-5-10(12,13)8(7)9(17-18)11(14,15)16;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)13;1-7(2)15-9-6-16-5-4-8(9)10(14-15)11(3,12)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-6(2)15-5-8(10(11,12)13)14-9(15)7-3-4-7;1-8(2)12-10-6-4-3-5-9(10)7-11-12/h3-8,11H,9-10H2,1-2H3;8-9H,6-7H2,1-5H3;9,11-12H,4-8H2,1-3H3;7-9H,3-6H2,1-2H3;2*6-8,12H,3-5H2,1-2H3;4-8H,1-3H3;6-9H,3-5H2,1-2H3;6H,3-5H2,1-2H3;7H,3-6H2,1-2H3;2*7H,4-6H2,1-3H3;3-9H,1-2H3;5-7H,3-4H2,1-2H3;3-8H,1-2H3.
What are the key properties of 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;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;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;5-(1-ethoxyethenyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;6-fluoro-1-methyl-3-propan-2-ylindole;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene?
2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;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;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;5-(1-ethoxyethenyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;6-fluoro-1-methyl-3-propan-2-ylindole;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene has a molecular weight of 3424.01 g/mol, XLogP of 51.59, 29 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;2-cyclopropyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;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;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;5-(1-ethoxyethenyl)-3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene;6-fluoro-1-methyl-3-propan-2-ylindole;2-(phenylmethoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;7,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene is sourced from PubChem (CID 160930245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).