3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone

C151H191F35N28O9S — CID 157091199

IUPAC3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone
SMILESC=C1CCC(F)(F)c2c(C(F)(F)F)nn(C(C)C)c21.CC(=O)c1cn(C(C)C)nc1C(F)(F)F.CC(C)c1cn(S(C)(=O)=O)c2ccc(F)cc12.CC(C)n1cc(C(F)(F)F)nc1CO.CC(C)n1cnc2ccccc21.CC(C)n1nc(C(=O)O)c2c1C1CCC2C1.CC(C)n1nc(C(F)(F)F)c2c1C(O)CC2.CC(C)n1nc(C(F)(F)F)c2c1CC(C)(F)CC2.CC(C)n1nc(C(F)(F)F)c2c1CN(C)CC2.CC(C)n1nc(C(F)F)c2c1C(C)(F)CCC2F.CC(C)n1nc(C(F)F)c2c1C(F)(F)C1CC21.CC(C)n1nc(C(F)F)c2c1C1CC(C1)C2=O.CC(C)n1nc(C=O)c2c1C1CCC2C1.Cc1cc(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C12H13F5N2.2C12H16F4N2.C12H14F2N2O.C12H14FNO2S.C12H16N2O2.C12H16N2O.C11H12F4N2.C11H16F3N3.C10H13F3N2O.C10H12N2.C9H11F3N2O.C8H11F3N2O.C8H11F3N2/c1-6(2)19-9-7(3)4-5-11(13,14)8(9)10(18-19)12(15,16)17;1-7(2)18-9-6-11(3,13)5-4-8(9)10(17-18)12(14,15)16;1-6(2)18-10-8(9(17-18)11(14)15)7(13)4-5-12(10,3)16;1-5(2)16-10-6-3-7(4-6)11(17)8(10)9(15-16)12(13)14;1-8(2)11-7-14(17(3,15)16)12-5-4-9(13)6-10(11)12;1-6(2)14-11-8-4-3-7(5-8)9(11)10(13-14)12(15)16;1-7(2)14-12-9-4-3-8(5-9)11(12)10(6-15)13-14;1-4(2)17-9-7(8(16-17)10(12)13)5-3-6(5)11(9,14)15;1-7(2)17-9-6-16(3)5-4-8(9)10(15-17)11(12,13)14;1-5(2)15-8-6(3-4-7(8)16)9(14-15)10(11,12)13;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-5(2)14-4-7(6(3)15)8(13-14)9(10,11)12;1-5(2)13-3-6(8(9,10)11)12-7(13)4-14;1-5(2)13-6(3)4-7(12-13)8(9,10)11/h6H,3-5H2,1-2H3;7H,4-6H2,1-3H3;6-7,11H,4-5H2,1-3H3;5-7,12H,3-4H2,1-2H3;4-8H,1-3H3;6-8H,3-5H2,1-2H3,(H,15,16);6-9H,3-5H2,1-2H3;4-6,10H,3H2,1-2H3;7H,4-6H2,1-3H3;5,7,16H,3-4H2,1-2H3;3-8H,1-2H3;4-5H,1-3H3;3,5,14H,4H2,1-2H3;4-5H,1-3H3
InChIKeyAERKQPZEAUJWRC-UHFFFAOYSA-N
MW3239.37 g/mol
LogP42.06
Rot. Bonds22

About 3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone

3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone (PubChem CID 157091199) has the molecular formula C151H191F35N28O9S and a molecular weight of 3239.37 g/mol. Its IUPAC name is 3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone
PubChem CID157091199
Molecular FormulaC151H191F35N28O9S
Molecular Weight3239.37 g/mol
Exact Mass3237.45
IUPAC Name3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone
SMILESC=C1CCC(F)(F)c2c(C(F)(F)F)nn(C(C)C)c21.CC(=O)c1cn(C(C)C)nc1C(F)(F)F.CC(C)c1cn(S(C)(=O)=O)c2ccc(F)cc12.CC(C)n1cc(C(F)(F)F)nc1CO.CC(C)n1cnc2ccccc21.CC(C)n1nc(C(=O)O)c2c1C1CCC2C1.CC(C)n1nc(C(F)(F)F)c2c1C(O)CC2.CC(C)n1nc(C(F)(F)F)c2c1CC(C)(F)CC2.CC(C)n1nc(C(F)(F)F)c2c1CN(C)CC2.CC(C)n1nc(C(F)F)c2c1C(C)(F)CCC2F.CC(C)n1nc(C(F)F)c2c1C(F)(F)C1CC21.CC(C)n1nc(C(F)F)c2c1C1CC(C1)C2=O.CC(C)n1nc(C=O)c2c1C1CCC2C1.Cc1cc(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C12H13F5N2.2C12H16F4N2.C12H14F2N2O.C12H14FNO2S.C12H16N2O2.C12H16N2O.C11H12F4N2.C11H16F3N3.C10H13F3N2O.C10H12N2.C9H11F3N2O.C8H11F3N2O.C8H11F3N2/c1-6(2)19-9-7(3)4-5-11(13,14)8(9)10(18-19)12(15,16)17;1-7(2)18-9-6-11(3,13)5-4-8(9)10(17-18)12(14,15)16;1-6(2)18-10-8(9(17-18)11(14)15)7(13)4-5-12(10,3)16;1-5(2)16-10-6-3-7(4-6)11(17)8(10)9(15-16)12(13)14;1-8(2)11-7-14(17(3,15)16)12-5-4-9(13)6-10(11)12;1-6(2)14-11-8-4-3-7(5-8)9(11)10(13-14)12(15)16;1-7(2)14-12-9-4-3-8(5-9)11(12)10(6-15)13-14;1-4(2)17-9-7(8(16-17)10(12)13)5-3-6(5)11(9,14)15;1-7(2)17-9-6-16(3)5-4-8(9)10(15-17)11(12,13)14;1-5(2)15-8-6(3-4-7(8)16)9(14-15)10(11,12)13;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-5(2)14-4-7(6(3)15)8(13-14)9(10,11)12;1-5(2)13-3-6(8(9,10)11)12-7(13)4-14;1-5(2)13-6(3)4-7(12-13)8(9,10)11/h6H,3-5H2,1-2H3;7H,4-6H2,1-3H3;6-7,11H,4-5H2,1-3H3;5-7,12H,3-4H2,1-2H3;4-8H,1-3H3;6-8H,3-5H2,1-2H3,(H,15,16);6-9H,3-5H2,1-2H3;4-6,10H,3H2,1-2H3;7H,4-6H2,1-3H3;5,7,16H,3-4H2,1-2H3;3-8H,1-2H3;4-5H,1-3H3;3,5,14H,4H2,1-2H3;4-5H,1-3H3
InChIKeyAERKQPZEAUJWRC-UHFFFAOYSA-N
XLogP42.06
TPSA402.94 Ų
H-Bond Donors3
H-Bond Acceptors36
Rotatable Bonds22
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003239.37
LogP ≤ 542.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone?
The IUPAC name of 3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone (CID 157091199) is 3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone.
What is the SMILES notation for 3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone?
The canonical SMILES for 3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone is C=C1CCC(F)(F)c2c(C(F)(F)F)nn(C(C)C)c21.CC(=O)c1cn(C(C)C)nc1C(F)(F)F.CC(C)c1cn(S(C)(=O)=O)c2ccc(F)cc12.CC(C)n1cc(C(F)(F)F)nc1CO.CC(C)n1cnc2ccccc21.CC(C)n1nc(C(=O)O)c2c1C1CCC2C1.CC(C)n1nc(C(F)(F)F)c2c1C(O)CC2.CC(C)n1nc(C(F)(F)F)c2c1CC(C)(F)CC2.CC(C)n1nc(C(F)(F)F)c2c1CN(C)CC2.CC(C)n1nc(C(F)F)c2c1C(C)(F)CCC2F.CC(C)n1nc(C(F)F)c2c1C(F)(F)C1CC21.CC(C)n1nc(C(F)F)c2c1C1CC(C1)C2=O.CC(C)n1nc(C=O)c2c1C1CCC2C1.Cc1cc(C(F)(F)F)nn1C(C)C.
What is the InChIKey of 3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone?
The InChIKey is AERKQPZEAUJWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5N2.2C12H16F4N2.C12H14F2N2O.C12H14FNO2S.C12H16N2O2.C12H16N2O.C11H12F4N2.C11H16F3N3.C10H13F3N2O.C10H12N2.C9H11F3N2O.C8H11F3N2O.C8H11F3N2/c1-6(2)19-9-7(3)4-5-11(13,14)8(9)10(18-19)12(15,16)17;1-7(2)18-9-6-11(3,13)5-4-8(9)10(17-18)12(14,15)16;1-6(2)18-10-8(9(17-18)11(14)15)7(13)4-5-12(10,3)16;1-5(2)16-10-6-3-7(4-6)11(17)8(10)9(15-16)12(13)14;1-8(2)11-7-14(17(3,15)16)12-5-4-9(13)6-10(11)12;1-6(2)14-11-8-4-3-7(5-8)9(11)10(13-14)12(15)16;1-7(2)14-12-9-4-3-8(5-9)11(12)10(6-15)13-14;1-4(2)17-9-7(8(16-17)10(12)13)5-3-6(5)11(9,14)15;1-7(2)17-9-6-16(3)5-4-8(9)10(15-17)11(12,13)14;1-5(2)15-8-6(3-4-7(8)16)9(14-15)10(11,12)13;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-5(2)14-4-7(6(3)15)8(13-14)9(10,11)12;1-5(2)13-3-6(8(9,10)11)12-7(13)4-14;1-5(2)13-6(3)4-7(12-13)8(9,10)11/h6H,3-5H2,1-2H3;7H,4-6H2,1-3H3;6-7,11H,4-5H2,1-3H3;5-7,12H,3-4H2,1-2H3;4-8H,1-3H3;6-8H,3-5H2,1-2H3,(H,15,16);6-9H,3-5H2,1-2H3;4-6,10H,3H2,1-2H3;7H,4-6H2,1-3H3;5,7,16H,3-4H2,1-2H3;3-8H,1-2H3;4-5H,1-3H3;3,5,14H,4H2,1-2H3;4-5H,1-3H3.
What are the key properties of 3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone?
3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone has a molecular weight of 3239.37 g/mol, XLogP of 42.06, 22 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 157091199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).