3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;3-(difluoromethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;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;3-propan-2-yl-1H-benzimidazol-3-ium;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-4,5,6,7-tetrahydrobenzimidazole;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

C173H228F40N33O6+ — CID 158270493

IUPAC3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;3-(difluoromethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;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;3-propan-2-yl-1H-benzimidazol-3-ium;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-4,5,6,7-tetrahydrobenzimidazole;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
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)[n+]1c[nH]c2ccccc21.CC(C)n1cc(C(F)(F)F)nc1CO.CC(C)n1cnc2c1CCCC2.CC(C)n1nc(C(=O)O)c2c1C1CCC2C1.CC(C)n1nc(C(F)(F)F)c2c1CC(C)(F)CC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.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)c2c1C1CC(C1)C2=O.CC(C)n1nc(C=O)c2c1C1CCC2C1.CC(C)n1nc2c(c1C(F)(F)F)C(F)(F)C1CC21.CC1CCCc2c(C(F)F)nn(C(C)C)c21.CC1CCc2c(C(F)(F)F)nn(C(C)C)c21.Cc1cc(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C12H13F5N2.2C12H16F4N2.C12H14F2N2O.C12H18F2N2.C12H16N2O2.C12H16N2O.C11H11F5N2.C11H16F3N3.2C11H15F3N2.C10H16N2.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;1-7(2)16-11-8(3)5-4-6-9(11)10(15-16)12(13)14;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)18-9(11(14,15)16)7-8(17-18)5-3-6(5)10(7,12)13;1-7(2)17-9-6-16(3)5-4-8(9)10(15-17)11(12,13)14;1-6(2)16-9-7(3)4-5-8(9)10(15-16)11(12,13)14;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;2*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;7-8,12H,4-6H2,1-3H3;6-8H,3-5H2,1-2H3,(H,15,16);6-9H,3-5H2,1-2H3;4-6H,3H2,1-2H3;7H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;4-5H,1-3H3;3,5,14H,4H2,1-2H3;4-5H,1-3H3/p+1
InChIKeyYQSBISCOPGDLKB-UHFFFAOYSA-O
MW3625.87 g/mol
LogP49.46
Rot. Bonds23

About 3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;3-(difluoromethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;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;3-propan-2-yl-1H-benzimidazol-3-ium;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-4,5,6,7-tetrahydrobenzimidazole;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;3-(difluoromethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;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;3-propan-2-yl-1H-benzimidazol-3-ium;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-4,5,6,7-tetrahydrobenzimidazole;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 158270493) has the molecular formula C173H228F40N33O6+ and a molecular weight of 3625.87 g/mol. Its IUPAC name is 3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;3-(difluoromethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;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;3-propan-2-yl-1H-benzimidazol-3-ium;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-4,5,6,7-tetrahydrobenzimidazole;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;3-(difluoromethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;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;3-propan-2-yl-1H-benzimidazol-3-ium;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-4,5,6,7-tetrahydrobenzimidazole;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
PubChem CID158270493
Molecular FormulaC173H228F40N33O6+
Molecular Weight3625.87 g/mol
Exact Mass3623.79
IUPAC Name3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;3-(difluoromethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;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;3-propan-2-yl-1H-benzimidazol-3-ium;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-4,5,6,7-tetrahydrobenzimidazole;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
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)[n+]1c[nH]c2ccccc21.CC(C)n1cc(C(F)(F)F)nc1CO.CC(C)n1cnc2c1CCCC2.CC(C)n1nc(C(=O)O)c2c1C1CCC2C1.CC(C)n1nc(C(F)(F)F)c2c1CC(C)(F)CC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.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)c2c1C1CC(C1)C2=O.CC(C)n1nc(C=O)c2c1C1CCC2C1.CC(C)n1nc2c(c1C(F)(F)F)C(F)(F)C1CC21.CC1CCCc2c(C(F)F)nn(C(C)C)c21.CC1CCc2c(C(F)(F)F)nn(C(C)C)c21.Cc1cc(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C12H13F5N2.2C12H16F4N2.C12H14F2N2O.C12H18F2N2.C12H16N2O2.C12H16N2O.C11H11F5N2.C11H16F3N3.2C11H15F3N2.C10H16N2.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;1-7(2)16-11-8(3)5-4-6-9(11)10(15-16)12(13)14;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)18-9(11(14,15)16)7-8(17-18)5-3-6(5)10(7,12)13;1-7(2)17-9-6-16(3)5-4-8(9)10(15-17)11(12,13)14;1-6(2)16-9-7(3)4-5-8(9)10(15-16)11(12,13)14;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;2*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;7-8,12H,4-6H2,1-3H3;6-8H,3-5H2,1-2H3,(H,15,16);6-9H,3-5H2,1-2H3;4-6H,3H2,1-2H3;7H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;4-5H,1-3H3;3,5,14H,4H2,1-2H3;4-5H,1-3H3/p+1
InChIKeyYQSBISCOPGDLKB-UHFFFAOYSA-O
XLogP49.46
TPSA398.95 Ų
H-Bond Donors3
H-Bond Acceptors36
Rotatable Bonds23
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003625.87
LogP ≤ 549.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;3-(difluoromethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;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;3-propan-2-yl-1H-benzimidazol-3-ium;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-4,5,6,7-tetrahydrobenzimidazole;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole with MolForge

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What is the IUPAC name of 3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;3-(difluoromethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;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;3-propan-2-yl-1H-benzimidazol-3-ium;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-4,5,6,7-tetrahydrobenzimidazole;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;3-(difluoromethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;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;3-propan-2-yl-1H-benzimidazol-3-ium;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-4,5,6,7-tetrahydrobenzimidazole;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (CID 158270493) is 3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;3-(difluoromethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;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;3-propan-2-yl-1H-benzimidazol-3-ium;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-4,5,6,7-tetrahydrobenzimidazole;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;3-(difluoromethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;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;3-propan-2-yl-1H-benzimidazol-3-ium;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-4,5,6,7-tetrahydrobenzimidazole;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;3-(difluoromethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;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;3-propan-2-yl-1H-benzimidazol-3-ium;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-4,5,6,7-tetrahydrobenzimidazole;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole 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)[n+]1c[nH]c2ccccc21.CC(C)n1cc(C(F)(F)F)nc1CO.CC(C)n1cnc2c1CCCC2.CC(C)n1nc(C(=O)O)c2c1C1CCC2C1.CC(C)n1nc(C(F)(F)F)c2c1CC(C)(F)CC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.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)c2c1C1CC(C1)C2=O.CC(C)n1nc(C=O)c2c1C1CCC2C1.CC(C)n1nc2c(c1C(F)(F)F)C(F)(F)C1CC21.CC1CCCc2c(C(F)F)nn(C(C)C)c21.CC1CCc2c(C(F)(F)F)nn(C(C)C)c21.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;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;3-(difluoromethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;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;3-propan-2-yl-1H-benzimidazol-3-ium;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-4,5,6,7-tetrahydrobenzimidazole;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is YQSBISCOPGDLKB-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H13F5N2.2C12H16F4N2.C12H14F2N2O.C12H18F2N2.C12H16N2O2.C12H16N2O.C11H11F5N2.C11H16F3N3.2C11H15F3N2.C10H16N2.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;1-7(2)16-11-8(3)5-4-6-9(11)10(15-16)12(13)14;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)18-9(11(14,15)16)7-8(17-18)5-3-6(5)10(7,12)13;1-7(2)17-9-6-16(3)5-4-8(9)10(15-17)11(12,13)14;1-6(2)16-9-7(3)4-5-8(9)10(15-16)11(12,13)14;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;2*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;7-8,12H,4-6H2,1-3H3;6-8H,3-5H2,1-2H3,(H,15,16);6-9H,3-5H2,1-2H3;4-6H,3H2,1-2H3;7H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;4-5H,1-3H3;3,5,14H,4H2,1-2H3;4-5H,1-3H3/p+1.
What are the key properties of 3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;3-(difluoromethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;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;3-propan-2-yl-1H-benzimidazol-3-ium;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-4,5,6,7-tetrahydrobenzimidazole;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;3-(difluoromethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;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;3-propan-2-yl-1H-benzimidazol-3-ium;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-4,5,6,7-tetrahydrobenzimidazole;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 3625.87 g/mol, XLogP of 49.46, 23 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;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;3-(difluoromethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-8-propan-2-yl-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;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;3-propan-2-yl-1H-benzimidazol-3-ium;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-4,5,6,7-tetrahydrobenzimidazole;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanone;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 158270493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).