3,5-bis(difluoromethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;3-cyclobutyl-1-propan-2-ylpyrazole;3-cyclopropyl-5-(difluoromethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;3-cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;3-cyclopropyl-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;3-(difluoromethyl)-5-methyl-1-propan-2-ylpyrazole;(2S,4R)-5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)indazole

C135H178F25N25 — CID 163490737

IUPAC3,5-bis(difluoromethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;3-cyclobutyl-1-propan-2-ylpyrazole;3-cyclopropyl-5-(difluoromethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;3-cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;3-cyclopropyl-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;3-(difluoromethyl)-5-methyl-1-propan-2-ylpyrazole;(2S,4R)-5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)indazole
SMILESCC(C)c1cn(C2CC2)c2ccccc12.CC(C)n1ccc(C(C)(C)C)n1.CC(C)n1ccc(C2CC2)n1.CC(C)n1ccc(C2CCC2)n1.CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21.CC(C)n1nc(C(F)(F)F)c2ccccc21.CC(C)n1nc(C(F)(F)F)cc1C1CC1.CC(C)n1nc(C(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21.CC(C)n1nc(C(F)F)cc1C(F)F.CC(C)n1nc(C(F)F)cc1C1CC1.CC(C)n1nc(C2CC2)c2ccccc21.CC(C)n1nc(C2CC2)cc1C(F)F.Cc1cc(C(F)F)nn1C(C)C
InChIInChI=1S/C14H17N.C13H16N2.C11H11F5N2.C11H12F4N2.C11H11F3N2.C10H13F3N2.2C10H14F2N2.C10H16N2.C10H18N2.C9H14N2.C8H10F4N2.C8H12F2N2/c1-10(2)13-9-15(11-7-8-11)14-6-4-3-5-12(13)14;1-9(2)15-12-6-4-3-5-11(12)13(14-15)10-7-8-10;1-4(2)18-9-7(8(17-18)11(14,15)16)5-3-6(5)10(9,12)13;1-4(2)17-9-7(8(16-17)10(12)13)5-3-6(5)11(9,14)15;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-6(2)15-8(7-3-4-7)5-9(14-15)10(11,12)13;1-6(2)14-9(7-3-4-7)5-8(13-14)10(11)12;1-6(2)14-9(10(11)12)5-8(13-14)7-3-4-7;1-8(2)12-7-6-10(11-12)9-4-3-5-9;1-8(2)12-7-6-9(11-12)10(3,4)5;1-7(2)11-6-5-9(10-11)8-3-4-8;1-4(2)14-6(8(11)12)3-5(13-14)7(9)10;1-5(2)12-6(3)4-7(11-12)8(9)10/h3-6,9-11H,7-8H2,1-2H3;3-6,9-10H,7-8H2,1-2H3;4-6H,3H2,1-2H3;4-6,10H,3H2,1-2H3;3-7H,1-2H3;5-7H,3-4H2,1-2H3;2*5-7,10H,3-4H2,1-2H3;6-9H,3-5H2,1-2H3;6-8H,1-5H3;5-8H,3-4H2,1-2H3;3-4,7-8H,1-2H3;4-5,8H,1-3H3/t;;2*5-,6+;;;;;;;;;/m..00........./s1
InChIKeyCMKAPRPNDBJMKP-CRNJAHBASA-N
MW2626.03 g/mol
LogP42.33
Rot. Bonds26

About 3,5-bis(difluoromethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;3-cyclobutyl-1-propan-2-ylpyrazole;3-cyclopropyl-5-(difluoromethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;3-cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;3-cyclopropyl-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;3-(difluoromethyl)-5-methyl-1-propan-2-ylpyrazole;(2S,4R)-5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)indazole

3,5-bis(difluoromethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;3-cyclobutyl-1-propan-2-ylpyrazole;3-cyclopropyl-5-(difluoromethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;3-cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;3-cyclopropyl-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;3-(difluoromethyl)-5-methyl-1-propan-2-ylpyrazole;(2S,4R)-5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)indazole (PubChem CID 163490737) has the molecular formula C135H178F25N25 and a molecular weight of 2626.03 g/mol. Its IUPAC name is 3,5-bis(difluoromethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;3-cyclobutyl-1-propan-2-ylpyrazole;3-cyclopropyl-5-(difluoromethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;3-cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;3-cyclopropyl-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;3-(difluoromethyl)-5-methyl-1-propan-2-ylpyrazole;(2S,4R)-5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)indazole.

Molecular Properties

Compound Name3,5-bis(difluoromethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;3-cyclobutyl-1-propan-2-ylpyrazole;3-cyclopropyl-5-(difluoromethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;3-cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;3-cyclopropyl-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;3-(difluoromethyl)-5-methyl-1-propan-2-ylpyrazole;(2S,4R)-5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)indazole
PubChem CID163490737
Molecular FormulaC135H178F25N25
Molecular Weight2626.03 g/mol
Exact Mass2624.43
IUPAC Name3,5-bis(difluoromethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;3-cyclobutyl-1-propan-2-ylpyrazole;3-cyclopropyl-5-(difluoromethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;3-cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;3-cyclopropyl-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;3-(difluoromethyl)-5-methyl-1-propan-2-ylpyrazole;(2S,4R)-5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)indazole
SMILESCC(C)c1cn(C2CC2)c2ccccc12.CC(C)n1ccc(C(C)(C)C)n1.CC(C)n1ccc(C2CC2)n1.CC(C)n1ccc(C2CCC2)n1.CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21.CC(C)n1nc(C(F)(F)F)c2ccccc21.CC(C)n1nc(C(F)(F)F)cc1C1CC1.CC(C)n1nc(C(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21.CC(C)n1nc(C(F)F)cc1C(F)F.CC(C)n1nc(C(F)F)cc1C1CC1.CC(C)n1nc(C2CC2)c2ccccc21.CC(C)n1nc(C2CC2)cc1C(F)F.Cc1cc(C(F)F)nn1C(C)C
InChIInChI=1S/C14H17N.C13H16N2.C11H11F5N2.C11H12F4N2.C11H11F3N2.C10H13F3N2.2C10H14F2N2.C10H16N2.C10H18N2.C9H14N2.C8H10F4N2.C8H12F2N2/c1-10(2)13-9-15(11-7-8-11)14-6-4-3-5-12(13)14;1-9(2)15-12-6-4-3-5-11(12)13(14-15)10-7-8-10;1-4(2)18-9-7(8(17-18)11(14,15)16)5-3-6(5)10(9,12)13;1-4(2)17-9-7(8(16-17)10(12)13)5-3-6(5)11(9,14)15;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-6(2)15-8(7-3-4-7)5-9(14-15)10(11,12)13;1-6(2)14-9(7-3-4-7)5-8(13-14)10(11)12;1-6(2)14-9(10(11)12)5-8(13-14)7-3-4-7;1-8(2)12-7-6-10(11-12)9-4-3-5-9;1-8(2)12-7-6-9(11-12)10(3,4)5;1-7(2)11-6-5-9(10-11)8-3-4-8;1-4(2)14-6(8(11)12)3-5(13-14)7(9)10;1-5(2)12-6(3)4-7(11-12)8(9)10/h3-6,9-11H,7-8H2,1-2H3;3-6,9-10H,7-8H2,1-2H3;4-6H,3H2,1-2H3;4-6,10H,3H2,1-2H3;3-7H,1-2H3;5-7H,3-4H2,1-2H3;2*5-7,10H,3-4H2,1-2H3;6-9H,3-5H2,1-2H3;6-8H,1-5H3;5-8H,3-4H2,1-2H3;3-4,7-8H,1-2H3;4-5,8H,1-3H3/t;;2*5-,6+;;;;;;;;;/m..00........./s1
InChIKeyCMKAPRPNDBJMKP-CRNJAHBASA-N
XLogP42.33
TPSA218.77 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002626.03
LogP ≤ 542.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 3,5-bis(difluoromethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;3-cyclobutyl-1-propan-2-ylpyrazole;3-cyclopropyl-5-(difluoromethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;3-cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;3-cyclopropyl-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;3-(difluoromethyl)-5-methyl-1-propan-2-ylpyrazole;(2S,4R)-5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)indazole with MolForge

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Related Compounds

4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;9-(difluoromethyl)-5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,6-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;4-(2-methylbutan-2-yl)-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole
CID 157083964
2-(3-Fluorobenzene-6-id-1-yl)-3,3-dimethylindole;1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);1-phenylindazole;3-[3-(trifluoromethyl)benzene-6-id-1-yl]-1-[4-(trifluoromethyl)phenyl]indazole
CID 157286542
1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)-3H-indazol-2-ide;5-fluoro-1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]-3H-indazol-2-ide;pentakis(iridium);3-methyl-2-(3H-naphthalen-3-id-2-yl)-3-phenylindole;1-phenylindazole
CID 157297927
(2S)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;(2S)-7-tert-butyl-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;(2S)-7-tert-butyl-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-methylpyrazole;deuterium monohydride;5,6-dimethyl-1-propan-2-ylindazole
CID 157488272
9-[3-[3-[2-[1-(3-Carbazol-9-ylbenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]benzene-4-id-1-yl]carbazole;3-[3-[2-[1-(3-isocyanobenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]benzene-4-ide-1-carbonitrile;4-phenyl-1-phenyl-3-[2-(4-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;5-phenyl-1-phenyl-3-[2-(5-phenyl-1-phenylpyrazol-3-yl)propan-2-yl]pyrazole;pentakis(platinum(2+));1-[3-(trifluoromethyl)benzene-6-id-1-yl]-3-[2-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyrazole
CID 158346559
4-bromo-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;9-(difluoromethyl)-5-fluoro-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,6-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-ylbenzo[g]indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;1,10,10-trimethyl-3-propan-2-yl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
CID 159280350
(2S)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carbonitrile;(2S)-7-tert-butyl-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;(2S)-7-tert-butyl-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5,6-dimethyl-1-propan-2-ylindazole
CID 160159292
1-(4-fluorobenzene-6-id-1-yl)indazole;5-fluoro-1-(3-fluorobenzene-6-id-1-yl)indazole;pentakis(iridium);3-methyl-2-(3H-naphthalen-3-id-2-yl)-3-phenylindole;1-phenylindazole;3-[3-(trifluoromethyl)benzene-6-id-1-yl]-1-[4-(trifluoromethyl)phenyl]indazole
CID 160519364
3-Cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;1-propan-2-yl-3-(trifluoromethyl)indazole
CID 163495790
3,5-bis(difluoromethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;3-cyclobutyl-1-propan-2-ylpyrazole;3-cyclopropyl-5-(difluoromethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;3-cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;3-cyclopropyl-1-propan-2-ylpyrazole;(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;(2S,4R)-5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)indazole
CID 164014340
9-methyl-3-[3-[2-[1-(9-methyl-2H-carbazol-2-id-3-yl)pyrazol-3-yl]propan-2-yl]pyrazol-1-yl]-2H-carbazol-2-ide;platinum(2+)
CID 57623106
3-(2,4-Dimethyl-3-phenylbenzene-6-id-1-yl)indazol-2-ide;1-[3-(2,6-dimethylphenyl)benzene-6-id-1-yl]isoindol-2-ide;bis(3,5-dimethyl-1-phenylpyrazole);3-(3-phenylbenzene-6-id-1-yl)indazol-2-ide;1-(3-phenylbenzene-6-id-1-yl)isoindol-2-ide;3-[3-(4-phenylphenyl)benzene-6-id-1-yl]indazol-2-ide;tris(1-phenylpyrazole);platinum
CID 157978167

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(difluoromethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;3-cyclobutyl-1-propan-2-ylpyrazole;3-cyclopropyl-5-(difluoromethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;3-cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;3-cyclopropyl-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;3-(difluoromethyl)-5-methyl-1-propan-2-ylpyrazole;(2S,4R)-5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)indazole?
The IUPAC name of 3,5-bis(difluoromethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;3-cyclobutyl-1-propan-2-ylpyrazole;3-cyclopropyl-5-(difluoromethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;3-cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;3-cyclopropyl-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;3-(difluoromethyl)-5-methyl-1-propan-2-ylpyrazole;(2S,4R)-5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)indazole (CID 163490737) is 3,5-bis(difluoromethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;3-cyclobutyl-1-propan-2-ylpyrazole;3-cyclopropyl-5-(difluoromethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;3-cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;3-cyclopropyl-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;3-(difluoromethyl)-5-methyl-1-propan-2-ylpyrazole;(2S,4R)-5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)indazole.
What is the SMILES notation for 3,5-bis(difluoromethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;3-cyclobutyl-1-propan-2-ylpyrazole;3-cyclopropyl-5-(difluoromethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;3-cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;3-cyclopropyl-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;3-(difluoromethyl)-5-methyl-1-propan-2-ylpyrazole;(2S,4R)-5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)indazole?
The canonical SMILES for 3,5-bis(difluoromethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;3-cyclobutyl-1-propan-2-ylpyrazole;3-cyclopropyl-5-(difluoromethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;3-cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;3-cyclopropyl-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;3-(difluoromethyl)-5-methyl-1-propan-2-ylpyrazole;(2S,4R)-5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)indazole is CC(C)c1cn(C2CC2)c2ccccc12.CC(C)n1ccc(C(C)(C)C)n1.CC(C)n1ccc(C2CC2)n1.CC(C)n1ccc(C2CCC2)n1.CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21.CC(C)n1nc(C(F)(F)F)c2ccccc21.CC(C)n1nc(C(F)(F)F)cc1C1CC1.CC(C)n1nc(C(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21.CC(C)n1nc(C(F)F)cc1C(F)F.CC(C)n1nc(C(F)F)cc1C1CC1.CC(C)n1nc(C2CC2)c2ccccc21.CC(C)n1nc(C2CC2)cc1C(F)F.Cc1cc(C(F)F)nn1C(C)C.
What is the InChIKey of 3,5-bis(difluoromethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;3-cyclobutyl-1-propan-2-ylpyrazole;3-cyclopropyl-5-(difluoromethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;3-cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;3-cyclopropyl-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;3-(difluoromethyl)-5-methyl-1-propan-2-ylpyrazole;(2S,4R)-5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)indazole?
The InChIKey is CMKAPRPNDBJMKP-CRNJAHBASA-N. The full InChI is InChI=1S/C14H17N.C13H16N2.C11H11F5N2.C11H12F4N2.C11H11F3N2.C10H13F3N2.2C10H14F2N2.C10H16N2.C10H18N2.C9H14N2.C8H10F4N2.C8H12F2N2/c1-10(2)13-9-15(11-7-8-11)14-6-4-3-5-12(13)14;1-9(2)15-12-6-4-3-5-11(12)13(14-15)10-7-8-10;1-4(2)18-9-7(8(17-18)11(14,15)16)5-3-6(5)10(9,12)13;1-4(2)17-9-7(8(16-17)10(12)13)5-3-6(5)11(9,14)15;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-6(2)15-8(7-3-4-7)5-9(14-15)10(11,12)13;1-6(2)14-9(7-3-4-7)5-8(13-14)10(11)12;1-6(2)14-9(10(11)12)5-8(13-14)7-3-4-7;1-8(2)12-7-6-10(11-12)9-4-3-5-9;1-8(2)12-7-6-9(11-12)10(3,4)5;1-7(2)11-6-5-9(10-11)8-3-4-8;1-4(2)14-6(8(11)12)3-5(13-14)7(9)10;1-5(2)12-6(3)4-7(11-12)8(9)10/h3-6,9-11H,7-8H2,1-2H3;3-6,9-10H,7-8H2,1-2H3;4-6H,3H2,1-2H3;4-6,10H,3H2,1-2H3;3-7H,1-2H3;5-7H,3-4H2,1-2H3;2*5-7,10H,3-4H2,1-2H3;6-9H,3-5H2,1-2H3;6-8H,1-5H3;5-8H,3-4H2,1-2H3;3-4,7-8H,1-2H3;4-5,8H,1-3H3/t;;2*5-,6+;;;;;;;;;/m..00........./s1.
What are the key properties of 3,5-bis(difluoromethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;3-cyclobutyl-1-propan-2-ylpyrazole;3-cyclopropyl-5-(difluoromethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;3-cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;3-cyclopropyl-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;3-(difluoromethyl)-5-methyl-1-propan-2-ylpyrazole;(2S,4R)-5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)indazole?
3,5-bis(difluoromethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;3-cyclobutyl-1-propan-2-ylpyrazole;3-cyclopropyl-5-(difluoromethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;3-cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;3-cyclopropyl-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;3-(difluoromethyl)-5-methyl-1-propan-2-ylpyrazole;(2S,4R)-5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)indazole has a molecular weight of 2626.03 g/mol, XLogP of 42.33, 26 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(difluoromethyl)-1-propan-2-ylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;3-cyclobutyl-1-propan-2-ylpyrazole;3-cyclopropyl-5-(difluoromethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;3-cyclopropyl-1-propan-2-ylindazole;1-cyclopropyl-3-propan-2-ylindole;3-cyclopropyl-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;3-(difluoromethyl)-5-methyl-1-propan-2-ylpyrazole;(2S,4R)-5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)indazole is sourced from PubChem (CID 163490737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).