4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(1-ethoxyethenyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)

C152H200F36N30O3 — CID 159401287

IUPAC4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(1-ethoxyethenyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)
SMILESC=C(OCC)c1cn(C(C)C)nc1C(F)(F)F.C=Cc1cn(C(C)C)nc1C(F)(F)F.C=Cc1cn(C)nc1C(F)(F)F.CC(C)n1cc(CN(C)C)c(C(F)(F)F)n1.CC(C)n1cc(CN2CCCCC2)c(C(F)(F)F)n1.CC(C)n1ccc2ccc(=O)[nH]c21.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2(F)F.CCc1c(-c2ccccc2)c(C(F)(F)F)nn1C(C)C.CCc1cn(C(C)C)nc1C(F)(F)F.Cc1c(C2CC2)c(C(F)(F)F)nn1C(C)C.Cc1nn(C(C)C)c2cc(O)ccc12
InChIInChI=1S/C15H17F3N2.C13H20F3N3.C12H14F4N2.C12H16F2N2.C11H15F3N2O.3C11H15F3N2.C11H14N2O.C10H16F3N3.C10H12N2O.C9H13F3N2.C9H11F3N2.C7H7F3N2/c1-4-12-13(11-8-6-5-7-9-11)14(15(16,17)18)19-20(12)10(2)3;1-10(2)19-9-11(12(17-19)13(14,15)16)8-18-6-4-3-5-7-18;1-5(2)18-10-7-3-6(7)4-12(15,16)8(10)9(17-18)11(13)14;1-6(2)16-11-8(10(15-16)12(13)14)4-3-7-5-9(7)11;1-5-17-8(4)9-6-16(7(2)3)15-10(9)11(12,13)14;1-6(2)16-7(3)9(8-4-5-8)10(15-16)11(12,13)14;2*1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)13-11-6-9(14)4-5-10(11)8(3)12-13;1-7(2)16-6-8(5-15(3)4)9(14-16)10(11,12)13;1-7(2)12-6-5-8-3-4-9(13)11-10(8)12;2*1-4-7-5-14(6(2)3)13-8(7)9(10,11)12;1-3-5-4-12(2)11-6(5)7(8,9)10/h5-10H,4H2,1-3H3;9-10H,3-8H2,1-2H3;5-7,11H,3-4H2,1-2H3;6-7,9,12H,3-5H2,1-2H3;6-7H,4-5H2,1-3H3;6,8H,4-5H2,1-3H3;2*7H,3-6H2,1-2H3;4-7,14H,1-3H3;6-7H,5H2,1-4H3;3-7H,1-2H3,(H,11,13);5-6H,4H2,1-3H3;4-6H,1H2,2-3H3;3-4H,1H2,2H3
InChIKeyLNJHMDLEISMFNY-UHFFFAOYSA-N
MW3179.41 g/mol
LogP44.85
Rot. Bonds28

About 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(1-ethoxyethenyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)

4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(1-ethoxyethenyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole) (PubChem CID 159401287) has the molecular formula C152H200F36N30O3 and a molecular weight of 3179.41 g/mol. Its IUPAC name is 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(1-ethoxyethenyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole).

Molecular Properties

Compound Name4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(1-ethoxyethenyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)
PubChem CID159401287
Molecular FormulaC152H200F36N30O3
Molecular Weight3179.41 g/mol
Exact Mass3177.58
IUPAC Name4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(1-ethoxyethenyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)
SMILESC=C(OCC)c1cn(C(C)C)nc1C(F)(F)F.C=Cc1cn(C(C)C)nc1C(F)(F)F.C=Cc1cn(C)nc1C(F)(F)F.CC(C)n1cc(CN(C)C)c(C(F)(F)F)n1.CC(C)n1cc(CN2CCCCC2)c(C(F)(F)F)n1.CC(C)n1ccc2ccc(=O)[nH]c21.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2(F)F.CCc1c(-c2ccccc2)c(C(F)(F)F)nn1C(C)C.CCc1cn(C(C)C)nc1C(F)(F)F.Cc1c(C2CC2)c(C(F)(F)F)nn1C(C)C.Cc1nn(C(C)C)c2cc(O)ccc12
InChIInChI=1S/C15H17F3N2.C13H20F3N3.C12H14F4N2.C12H16F2N2.C11H15F3N2O.3C11H15F3N2.C11H14N2O.C10H16F3N3.C10H12N2O.C9H13F3N2.C9H11F3N2.C7H7F3N2/c1-4-12-13(11-8-6-5-7-9-11)14(15(16,17)18)19-20(12)10(2)3;1-10(2)19-9-11(12(17-19)13(14,15)16)8-18-6-4-3-5-7-18;1-5(2)18-10-7-3-6(7)4-12(15,16)8(10)9(17-18)11(13)14;1-6(2)16-11-8(10(15-16)12(13)14)4-3-7-5-9(7)11;1-5-17-8(4)9-6-16(7(2)3)15-10(9)11(12,13)14;1-6(2)16-7(3)9(8-4-5-8)10(15-16)11(12,13)14;2*1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)13-11-6-9(14)4-5-10(11)8(3)12-13;1-7(2)16-6-8(5-15(3)4)9(14-16)10(11,12)13;1-7(2)12-6-5-8-3-4-9(13)11-10(8)12;2*1-4-7-5-14(6(2)3)13-8(7)9(10,11)12;1-3-5-4-12(2)11-6(5)7(8,9)10/h5-10H,4H2,1-3H3;9-10H,3-8H2,1-2H3;5-7,11H,3-4H2,1-2H3;6-7,9,12H,3-5H2,1-2H3;6-7H,4-5H2,1-3H3;6,8H,4-5H2,1-3H3;2*7H,3-6H2,1-2H3;4-7,14H,1-3H3;6-7H,5H2,1-4H3;3-7H,1-2H3,(H,11,13);5-6H,4H2,1-3H3;4-6H,1H2,2-3H3;3-4H,1H2,2H3
InChIKeyLNJHMDLEISMFNY-UHFFFAOYSA-N
XLogP44.85
TPSA305.39 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms221
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003179.41
LogP ≤ 544.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(1-ethoxyethenyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(1-ethoxyethenyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)?
The IUPAC name of 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(1-ethoxyethenyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole) (CID 159401287) is 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(1-ethoxyethenyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole).
What is the SMILES notation for 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(1-ethoxyethenyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)?
The canonical SMILES for 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(1-ethoxyethenyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole) is C=C(OCC)c1cn(C(C)C)nc1C(F)(F)F.C=Cc1cn(C(C)C)nc1C(F)(F)F.C=Cc1cn(C)nc1C(F)(F)F.CC(C)n1cc(CN(C)C)c(C(F)(F)F)n1.CC(C)n1cc(CN2CCCCC2)c(C(F)(F)F)n1.CC(C)n1ccc2ccc(=O)[nH]c21.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2(F)F.CCc1c(-c2ccccc2)c(C(F)(F)F)nn1C(C)C.CCc1cn(C(C)C)nc1C(F)(F)F.Cc1c(C2CC2)c(C(F)(F)F)nn1C(C)C.Cc1nn(C(C)C)c2cc(O)ccc12.
What is the InChIKey of 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(1-ethoxyethenyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)?
The InChIKey is LNJHMDLEISMFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2.C13H20F3N3.C12H14F4N2.C12H16F2N2.C11H15F3N2O.3C11H15F3N2.C11H14N2O.C10H16F3N3.C10H12N2O.C9H13F3N2.C9H11F3N2.C7H7F3N2/c1-4-12-13(11-8-6-5-7-9-11)14(15(16,17)18)19-20(12)10(2)3;1-10(2)19-9-11(12(17-19)13(14,15)16)8-18-6-4-3-5-7-18;1-5(2)18-10-7-3-6(7)4-12(15,16)8(10)9(17-18)11(13)14;1-6(2)16-11-8(10(15-16)12(13)14)4-3-7-5-9(7)11;1-5-17-8(4)9-6-16(7(2)3)15-10(9)11(12,13)14;1-6(2)16-7(3)9(8-4-5-8)10(15-16)11(12,13)14;2*1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)13-11-6-9(14)4-5-10(11)8(3)12-13;1-7(2)16-6-8(5-15(3)4)9(14-16)10(11,12)13;1-7(2)12-6-5-8-3-4-9(13)11-10(8)12;2*1-4-7-5-14(6(2)3)13-8(7)9(10,11)12;1-3-5-4-12(2)11-6(5)7(8,9)10/h5-10H,4H2,1-3H3;9-10H,3-8H2,1-2H3;5-7,11H,3-4H2,1-2H3;6-7,9,12H,3-5H2,1-2H3;6-7H,4-5H2,1-3H3;6,8H,4-5H2,1-3H3;2*7H,3-6H2,1-2H3;4-7,14H,1-3H3;6-7H,5H2,1-4H3;3-7H,1-2H3,(H,11,13);5-6H,4H2,1-3H3;4-6H,1H2,2-3H3;3-4H,1H2,2H3.
What are the key properties of 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(1-ethoxyethenyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)?
4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(1-ethoxyethenyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole) has a molecular weight of 3179.41 g/mol, XLogP of 44.85, 28 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-(1-ethoxyethenyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole) is sourced from PubChem (CID 159401287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).