2-chloro-4-propan-2-ylpyridine;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-cyclopropyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;4-cyclopropyl-1-propan-2-ylpyrazole-3-carbonitrile;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethynyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-fluoro-7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-4-one;4-methyl-2-methylidene-1-propan-2-ylquinoline;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine

C175H223ClF35N33O5 — CID 162158244

IUPAC2-chloro-4-propan-2-ylpyridine;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-cyclopropyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;4-cyclopropyl-1-propan-2-ylpyrazole-3-carbonitrile;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethynyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-fluoro-7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-4-one;4-methyl-2-methylidene-1-propan-2-ylquinoline;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESC#Cc1cn(C(C)C)nc1C(F)(F)F.C=C1C=C(C)c2ccccc2N1C(C)C.CC(C)C1=CCc2cc(C3CC3)c(=O)[nH]c21.CC(C)c1ccnc(Cl)c1.CC(C)n1cc(C(F)F)c(C(F)(F)F)n1.CC(C)n1cc(C2CC2)c(C#N)n1.CC(C)n1cc(CNC2CC2)c(C(F)(F)F)n1.CC(C)n1nc(C(F)(F)F)c2c1C(C)(F)CCC2=O.CC(C)n1nc(C(F)(F)F)c2c1C1CC1CC2.CC(C)n1nc(C(F)(F)F)c2c1CCC=C2.CC(C)n1nc(C(F)F)c2c1C(C)(C)CCC2.CC(C)n1nc(C(F)F)c2c1C(C)(F)CCC2O.CC(C)n1nc2c(c1C(F)(F)F)C(=O)C1CC21.CC(C)n1ncc2c(=O)[nH]ccc21.CCc1c(C2CC2)c(C(F)(F)F)nn1C(C)C.CNCc1cn(C(C)C)nc1C(F)(F)F
InChIInChI=1S/C14H17NO.C14H17N.C13H20F2N2.C12H14F4N2O.C12H17F3N2O.C12H15F3N2.C12H17F3N2.C11H16F3N3.C11H11F3N2O.C11H13F3N2.C10H13N3.C9H14F3N3.C9H9F3N2.C9H11N3O.C8H10ClN.C8H9F5N2/c1-8(2)11-6-5-10-7-12(9-3-4-9)14(16)15-13(10)11;1-10(2)15-12(4)9-11(3)13-7-5-6-8-14(13)15;1-8(2)17-11-9(10(16-17)12(14)15)6-5-7-13(11,3)4;1-6(2)18-10-8(9(17-18)12(14,15)16)7(19)4-5-11(10,3)13;1-6(2)17-10-8(9(16-17)11(13)14)7(18)4-5-12(10,3)15;1-6(2)17-10-8(4-3-7-5-9(7)10)11(16-17)12(13,14)15;1-4-9-10(8-5-6-8)11(12(13,14)15)16-17(9)7(2)3;1-7(2)17-6-8(5-15-9-3-4-9)10(16-17)11(12,13)14;1-4(2)16-10(11(12,13)14)7-8(15-16)5-3-6(5)9(7)17;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)13-6-9(8-3-4-8)10(5-11)12-13;1-6(2)15-5-7(4-13-3)8(14-15)9(10,11)12;1-4-7-5-14(6(2)3)13-8(7)9(10,11)12;1-6(2)12-8-3-4-10-9(13)7(8)5-11-12;1-6(2)7-3-4-10-8(9)5-7;1-4(2)15-3-5(7(9)10)6(14-15)8(11,12)13/h6-9H,3-5H2,1-2H3,(H,15,16);5-10H,4H2,1-3H3;8,12H,5-7H2,1-4H3;6H,4-5H2,1-3H3;6-7,11,18H,4-5H2,1-3H3;6-7,9H,3-5H2,1-2H3;7-8H,4-6H2,1-3H3;6-7,9,15H,3-5H2,1-2H3;4-6H,3H2,1-2H3;3,5,7H,4,6H2,1-2H3;6-8H,3-4H2,1-2H3;5-6,13H,4H2,1-3H3;1,5-6H,2-3H3;3-6H,1-2H3,(H,10,13);3-6H,1-2H3;3-4,7H,1-2H3
InChIKeyZMCQUPCMLDNUAR-UHFFFAOYSA-N
MW3569.32 g/mol
LogP48.63
Rot. Bonds28

About 2-chloro-4-propan-2-ylpyridine;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-cyclopropyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;4-cyclopropyl-1-propan-2-ylpyrazole-3-carbonitrile;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethynyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-fluoro-7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-4-one;4-methyl-2-methylidene-1-propan-2-ylquinoline;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine

2-chloro-4-propan-2-ylpyridine;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-cyclopropyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;4-cyclopropyl-1-propan-2-ylpyrazole-3-carbonitrile;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethynyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-fluoro-7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-4-one;4-methyl-2-methylidene-1-propan-2-ylquinoline;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 162158244) has the molecular formula C175H223ClF35N33O5 and a molecular weight of 3569.32 g/mol. Its IUPAC name is 2-chloro-4-propan-2-ylpyridine;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-cyclopropyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;4-cyclopropyl-1-propan-2-ylpyrazole-3-carbonitrile;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethynyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-fluoro-7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-4-one;4-methyl-2-methylidene-1-propan-2-ylquinoline;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound Name2-chloro-4-propan-2-ylpyridine;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-cyclopropyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;4-cyclopropyl-1-propan-2-ylpyrazole-3-carbonitrile;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethynyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-fluoro-7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-4-one;4-methyl-2-methylidene-1-propan-2-ylquinoline;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID162158244
Molecular FormulaC175H223ClF35N33O5
Molecular Weight3569.32 g/mol
Exact Mass3566.73
IUPAC Name2-chloro-4-propan-2-ylpyridine;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-cyclopropyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;4-cyclopropyl-1-propan-2-ylpyrazole-3-carbonitrile;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethynyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-fluoro-7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-4-one;4-methyl-2-methylidene-1-propan-2-ylquinoline;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESC#Cc1cn(C(C)C)nc1C(F)(F)F.C=C1C=C(C)c2ccccc2N1C(C)C.CC(C)C1=CCc2cc(C3CC3)c(=O)[nH]c21.CC(C)c1ccnc(Cl)c1.CC(C)n1cc(C(F)F)c(C(F)(F)F)n1.CC(C)n1cc(C2CC2)c(C#N)n1.CC(C)n1cc(CNC2CC2)c(C(F)(F)F)n1.CC(C)n1nc(C(F)(F)F)c2c1C(C)(F)CCC2=O.CC(C)n1nc(C(F)(F)F)c2c1C1CC1CC2.CC(C)n1nc(C(F)(F)F)c2c1CCC=C2.CC(C)n1nc(C(F)F)c2c1C(C)(C)CCC2.CC(C)n1nc(C(F)F)c2c1C(C)(F)CCC2O.CC(C)n1nc2c(c1C(F)(F)F)C(=O)C1CC21.CC(C)n1ncc2c(=O)[nH]ccc21.CCc1c(C2CC2)c(C(F)(F)F)nn1C(C)C.CNCc1cn(C(C)C)nc1C(F)(F)F
InChIInChI=1S/C14H17NO.C14H17N.C13H20F2N2.C12H14F4N2O.C12H17F3N2O.C12H15F3N2.C12H17F3N2.C11H16F3N3.C11H11F3N2O.C11H13F3N2.C10H13N3.C9H14F3N3.C9H9F3N2.C9H11N3O.C8H10ClN.C8H9F5N2/c1-8(2)11-6-5-10-7-12(9-3-4-9)14(16)15-13(10)11;1-10(2)15-12(4)9-11(3)13-7-5-6-8-14(13)15;1-8(2)17-11-9(10(16-17)12(14)15)6-5-7-13(11,3)4;1-6(2)18-10-8(9(17-18)12(14,15)16)7(19)4-5-11(10,3)13;1-6(2)17-10-8(9(16-17)11(13)14)7(18)4-5-12(10,3)15;1-6(2)17-10-8(4-3-7-5-9(7)10)11(16-17)12(13,14)15;1-4-9-10(8-5-6-8)11(12(13,14)15)16-17(9)7(2)3;1-7(2)17-6-8(5-15-9-3-4-9)10(16-17)11(12,13)14;1-4(2)16-10(11(12,13)14)7-8(15-16)5-3-6(5)9(7)17;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)13-6-9(8-3-4-8)10(5-11)12-13;1-6(2)15-5-7(4-13-3)8(14-15)9(10,11)12;1-4-7-5-14(6(2)3)13-8(7)9(10,11)12;1-6(2)12-8-3-4-10-9(13)7(8)5-11-12;1-6(2)7-3-4-10-8(9)5-7;1-4(2)15-3-5(7(9)10)6(14-15)8(11,12)13/h6-9H,3-5H2,1-2H3,(H,15,16);5-10H,4H2,1-3H3;8,12H,5-7H2,1-4H3;6H,4-5H2,1-3H3;6-7,11,18H,4-5H2,1-3H3;6-7,9H,3-5H2,1-2H3;7-8H,4-6H2,1-3H3;6-7,9,15H,3-5H2,1-2H3;4-6H,3H2,1-2H3;3,5,7H,4,6H2,1-2H3;6-8H,3-4H2,1-2H3;5-6,13H,4H2,1-3H3;1,5-6H,2-3H3;3-6H,1-2H3,(H,10,13);3-6H,1-2H3;3-4,7H,1-2H3
InChIKeyZMCQUPCMLDNUAR-UHFFFAOYSA-N
XLogP48.63
TPSA415.73 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003569.32
LogP ≤ 548.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-chloro-4-propan-2-ylpyridine;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-cyclopropyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;4-cyclopropyl-1-propan-2-ylpyrazole-3-carbonitrile;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethynyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-fluoro-7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-4-one;4-methyl-2-methylidene-1-propan-2-ylquinoline;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-propan-2-ylpyridine;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-cyclopropyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;4-cyclopropyl-1-propan-2-ylpyrazole-3-carbonitrile;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethynyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-fluoro-7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-4-one;4-methyl-2-methylidene-1-propan-2-ylquinoline;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of 2-chloro-4-propan-2-ylpyridine;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-cyclopropyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;4-cyclopropyl-1-propan-2-ylpyrazole-3-carbonitrile;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethynyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-fluoro-7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-4-one;4-methyl-2-methylidene-1-propan-2-ylquinoline;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine (CID 162158244) is 2-chloro-4-propan-2-ylpyridine;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-cyclopropyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;4-cyclopropyl-1-propan-2-ylpyrazole-3-carbonitrile;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethynyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-fluoro-7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-4-one;4-methyl-2-methylidene-1-propan-2-ylquinoline;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for 2-chloro-4-propan-2-ylpyridine;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-cyclopropyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;4-cyclopropyl-1-propan-2-ylpyrazole-3-carbonitrile;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethynyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-fluoro-7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-4-one;4-methyl-2-methylidene-1-propan-2-ylquinoline;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for 2-chloro-4-propan-2-ylpyridine;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-cyclopropyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;4-cyclopropyl-1-propan-2-ylpyrazole-3-carbonitrile;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethynyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-fluoro-7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-4-one;4-methyl-2-methylidene-1-propan-2-ylquinoline;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine is C#Cc1cn(C(C)C)nc1C(F)(F)F.C=C1C=C(C)c2ccccc2N1C(C)C.CC(C)C1=CCc2cc(C3CC3)c(=O)[nH]c21.CC(C)c1ccnc(Cl)c1.CC(C)n1cc(C(F)F)c(C(F)(F)F)n1.CC(C)n1cc(C2CC2)c(C#N)n1.CC(C)n1cc(CNC2CC2)c(C(F)(F)F)n1.CC(C)n1nc(C(F)(F)F)c2c1C(C)(F)CCC2=O.CC(C)n1nc(C(F)(F)F)c2c1C1CC1CC2.CC(C)n1nc(C(F)(F)F)c2c1CCC=C2.CC(C)n1nc(C(F)F)c2c1C(C)(C)CCC2.CC(C)n1nc(C(F)F)c2c1C(C)(F)CCC2O.CC(C)n1nc2c(c1C(F)(F)F)C(=O)C1CC21.CC(C)n1ncc2c(=O)[nH]ccc21.CCc1c(C2CC2)c(C(F)(F)F)nn1C(C)C.CNCc1cn(C(C)C)nc1C(F)(F)F.
What is the InChIKey of 2-chloro-4-propan-2-ylpyridine;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-cyclopropyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;4-cyclopropyl-1-propan-2-ylpyrazole-3-carbonitrile;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethynyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-fluoro-7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-4-one;4-methyl-2-methylidene-1-propan-2-ylquinoline;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is ZMCQUPCMLDNUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.C14H17N.C13H20F2N2.C12H14F4N2O.C12H17F3N2O.C12H15F3N2.C12H17F3N2.C11H16F3N3.C11H11F3N2O.C11H13F3N2.C10H13N3.C9H14F3N3.C9H9F3N2.C9H11N3O.C8H10ClN.C8H9F5N2/c1-8(2)11-6-5-10-7-12(9-3-4-9)14(16)15-13(10)11;1-10(2)15-12(4)9-11(3)13-7-5-6-8-14(13)15;1-8(2)17-11-9(10(16-17)12(14)15)6-5-7-13(11,3)4;1-6(2)18-10-8(9(17-18)12(14,15)16)7(19)4-5-11(10,3)13;1-6(2)17-10-8(9(16-17)11(13)14)7(18)4-5-12(10,3)15;1-6(2)17-10-8(4-3-7-5-9(7)10)11(16-17)12(13,14)15;1-4-9-10(8-5-6-8)11(12(13,14)15)16-17(9)7(2)3;1-7(2)17-6-8(5-15-9-3-4-9)10(16-17)11(12,13)14;1-4(2)16-10(11(12,13)14)7-8(15-16)5-3-6(5)9(7)17;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)13-6-9(8-3-4-8)10(5-11)12-13;1-6(2)15-5-7(4-13-3)8(14-15)9(10,11)12;1-4-7-5-14(6(2)3)13-8(7)9(10,11)12;1-6(2)12-8-3-4-10-9(13)7(8)5-11-12;1-6(2)7-3-4-10-8(9)5-7;1-4(2)15-3-5(7(9)10)6(14-15)8(11,12)13/h6-9H,3-5H2,1-2H3,(H,15,16);5-10H,4H2,1-3H3;8,12H,5-7H2,1-4H3;6H,4-5H2,1-3H3;6-7,11,18H,4-5H2,1-3H3;6-7,9H,3-5H2,1-2H3;7-8H,4-6H2,1-3H3;6-7,9,15H,3-5H2,1-2H3;4-6H,3H2,1-2H3;3,5,7H,4,6H2,1-2H3;6-8H,3-4H2,1-2H3;5-6,13H,4H2,1-3H3;1,5-6H,2-3H3;3-6H,1-2H3,(H,10,13);3-6H,1-2H3;3-4,7H,1-2H3.
What are the key properties of 2-chloro-4-propan-2-ylpyridine;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-cyclopropyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;4-cyclopropyl-1-propan-2-ylpyrazole-3-carbonitrile;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethynyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-fluoro-7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-4-one;4-methyl-2-methylidene-1-propan-2-ylquinoline;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
2-chloro-4-propan-2-ylpyridine;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-cyclopropyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;4-cyclopropyl-1-propan-2-ylpyrazole-3-carbonitrile;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethynyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-fluoro-7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-4-one;4-methyl-2-methylidene-1-propan-2-ylquinoline;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 3569.32 g/mol, XLogP of 48.63, 28 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-propan-2-ylpyridine;4-cyclopropyl-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-cyclopropyl-7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;4-cyclopropyl-1-propan-2-ylpyrazole-3-carbonitrile;3-(difluoromethyl)-7,7-dimethyl-1-propan-2-yl-5,6-dihydro-4H-indazole;3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol;4-(difluoromethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethynyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-fluoro-7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-4-one;4-methyl-2-methylidene-1-propan-2-ylquinoline;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one;1-propan-2-yl-3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydroindazole;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 162158244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).