4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;ethyl 1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol

C122H151F35N22O6 — CID 160979741

IUPAC4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;ethyl 1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESC=Cc1cn(C(C)C)nc1C(F)(F)F.C=Cc1cn(C)nc1C(F)(F)F.CC(C)C1=CC(=O)CC=C1.CC(C)n1cc(CO)c(C(F)(F)F)n1.CC(C)n1cnc2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1C(=O)CC2.CC(C)n1nc(C(F)(F)F)c2c1C(C)(F)CC2.CC(C)n1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.CC(C)n1nc(C(F)F)c2c1C(F)(F)CCC2=O.CCOC(=O)c1cn(C(C)C)nc1C(F)(F)F.CCc1c(-c2ccccc2)c(C(F)(F)F)nn1C(C)C.Cc1c(C2CC2)c(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C15H17F3N2.C11H12F6N2.C11H12F4N2O.C11H14F4N2.C11H15F3N2.C10H13F3N2O2.C10H11F3N2O.C10H16N2.C9H11F3N2.C9H12O.C8H11F3N2O.C7H7F3N2/c1-4-12-13(11-8-6-5-7-9-11)14(15(16,17)18)19-20(12)10(2)3;1-5(2)19-8-6(7(18-19)9(12)13)10(14,15)3-4-11(8,16)17;1-5(2)17-9-7(8(16-17)10(12)13)6(18)3-4-11(9,14)15;1-6(2)17-9-7(4-5-10(9,3)12)8(16-17)11(13,14)15;1-6(2)16-7(3)9(8-4-5-8)10(15-16)11(12,13)14;1-4-17-9(16)7-5-15(6(2)3)14-8(7)10(11,12)13;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;1-4-7-5-14(6(2)3)13-8(7)9(10,11)12;1-7(2)8-4-3-5-9(10)6-8;1-5(2)13-3-6(4-14)7(12-13)8(9,10)11;1-3-5-4-12(2)11-6(5)7(8,9)10/h5-10H,4H2,1-3H3;5,9H,3-4H2,1-2H3;5,10H,3-4H2,1-2H3;6H,4-5H2,1-3H3;6,8H,4-5H2,1-3H3;5-6H,4H2,1-3H3;5H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3;4-6H,1H2,2-3H3;3-4,6-7H,5H2,1-2H3;3,5,14H,4H2,1-2H3;3-4H,1H2,2H3
InChIKeySZIUTQDHVUPSMC-UHFFFAOYSA-N
MW2686.63 g/mol
LogP36.74
Rot. Bonds21

About 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;ethyl 1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol

4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;ethyl 1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 160979741) has the molecular formula C122H151F35N22O6 and a molecular weight of 2686.63 g/mol. Its IUPAC name is 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;ethyl 1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;ethyl 1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID160979741
Molecular FormulaC122H151F35N22O6
Molecular Weight2686.63 g/mol
Exact Mass2685.16
IUPAC Name4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;ethyl 1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESC=Cc1cn(C(C)C)nc1C(F)(F)F.C=Cc1cn(C)nc1C(F)(F)F.CC(C)C1=CC(=O)CC=C1.CC(C)n1cc(CO)c(C(F)(F)F)n1.CC(C)n1cnc2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1C(=O)CC2.CC(C)n1nc(C(F)(F)F)c2c1C(C)(F)CC2.CC(C)n1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.CC(C)n1nc(C(F)F)c2c1C(F)(F)CCC2=O.CCOC(=O)c1cn(C(C)C)nc1C(F)(F)F.CCc1c(-c2ccccc2)c(C(F)(F)F)nn1C(C)C.Cc1c(C2CC2)c(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C15H17F3N2.C11H12F6N2.C11H12F4N2O.C11H14F4N2.C11H15F3N2.C10H13F3N2O2.C10H11F3N2O.C10H16N2.C9H11F3N2.C9H12O.C8H11F3N2O.C7H7F3N2/c1-4-12-13(11-8-6-5-7-9-11)14(15(16,17)18)19-20(12)10(2)3;1-5(2)19-8-6(7(18-19)9(12)13)10(14,15)3-4-11(8,16)17;1-5(2)17-9-7(8(16-17)10(12)13)6(18)3-4-11(9,14)15;1-6(2)17-9-7(4-5-10(9,3)12)8(16-17)11(13,14)15;1-6(2)16-7(3)9(8-4-5-8)10(15-16)11(12,13)14;1-4-17-9(16)7-5-15(6(2)3)14-8(7)10(11,12)13;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;1-4-7-5-14(6(2)3)13-8(7)9(10,11)12;1-7(2)8-4-3-5-9(10)6-8;1-5(2)13-3-6(4-14)7(12-13)8(9,10)11;1-3-5-4-12(2)11-6(5)7(8,9)10/h5-10H,4H2,1-3H3;5,9H,3-4H2,1-2H3;5,10H,3-4H2,1-2H3;6H,4-5H2,1-3H3;6,8H,4-5H2,1-3H3;5-6H,4H2,1-3H3;5H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3;4-6H,1H2,2-3H3;3-4,6-7H,5H2,1-2H3;3,5,14H,4H2,1-2H3;3-4H,1H2,2H3
InChIKeySZIUTQDHVUPSMC-UHFFFAOYSA-N
XLogP36.74
TPSA293.76 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002686.63
LogP ≤ 536.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Analyze 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;ethyl 1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol with MolForge

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Related Compounds

4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;3-(difluoromethyl)-4,4,7-trifluoro-7-methyl-1-propan-2-yl-5,6-dihydroindazole;4-(3,3-dimethylbut-1-ynyl)-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;ethyl 1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;6-methylidene-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)spiro[6,7-dihydro-5H-indazole-4,1'-cyclopropane]
CID 158916538
CID 160194980
CID 160194980
3-(Difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydroindazol-4-one;3-(difluoromethyl)-4,4,7-trifluoro-7-methyl-1-propan-2-yl-5,6-dihydroindazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;ethyl 1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole
CID 161874484

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;ethyl 1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;ethyl 1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol (CID 160979741) is 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;ethyl 1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;ethyl 1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;ethyl 1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol is C=Cc1cn(C(C)C)nc1C(F)(F)F.C=Cc1cn(C)nc1C(F)(F)F.CC(C)C1=CC(=O)CC=C1.CC(C)n1cc(CO)c(C(F)(F)F)n1.CC(C)n1cnc2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1C(=O)CC2.CC(C)n1nc(C(F)(F)F)c2c1C(C)(F)CC2.CC(C)n1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.CC(C)n1nc(C(F)F)c2c1C(F)(F)CCC2=O.CCOC(=O)c1cn(C(C)C)nc1C(F)(F)F.CCc1c(-c2ccccc2)c(C(F)(F)F)nn1C(C)C.Cc1c(C2CC2)c(C(F)(F)F)nn1C(C)C.
What is the InChIKey of 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;ethyl 1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is SZIUTQDHVUPSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2.C11H12F6N2.C11H12F4N2O.C11H14F4N2.C11H15F3N2.C10H13F3N2O2.C10H11F3N2O.C10H16N2.C9H11F3N2.C9H12O.C8H11F3N2O.C7H7F3N2/c1-4-12-13(11-8-6-5-7-9-11)14(15(16,17)18)19-20(12)10(2)3;1-5(2)19-8-6(7(18-19)9(12)13)10(14,15)3-4-11(8,16)17;1-5(2)17-9-7(8(16-17)10(12)13)6(18)3-4-11(9,14)15;1-6(2)17-9-7(4-5-10(9,3)12)8(16-17)11(13,14)15;1-6(2)16-7(3)9(8-4-5-8)10(15-16)11(12,13)14;1-4-17-9(16)7-5-15(6(2)3)14-8(7)10(11,12)13;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;1-4-7-5-14(6(2)3)13-8(7)9(10,11)12;1-7(2)8-4-3-5-9(10)6-8;1-5(2)13-3-6(4-14)7(12-13)8(9,10)11;1-3-5-4-12(2)11-6(5)7(8,9)10/h5-10H,4H2,1-3H3;5,9H,3-4H2,1-2H3;5,10H,3-4H2,1-2H3;6H,4-5H2,1-3H3;6,8H,4-5H2,1-3H3;5-6H,4H2,1-3H3;5H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3;4-6H,1H2,2-3H3;3-4,6-7H,5H2,1-2H3;3,5,14H,4H2,1-2H3;3-4H,1H2,2H3.
What are the key properties of 4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;ethyl 1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol?
4-cyclopropyl-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;ethyl 1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 2686.63 g/mol, XLogP of 36.74, 21 rotatable bonds, 1 hydrogen bond donors, and 28 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)-7,7-difluoro-1-propan-2-yl-5,6-dihydroindazol-4-one;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-ethyl-4-phenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;ethyl 1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylate;6-fluoro-6-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazole;3-propan-2-ylcyclohexa-2,4-dien-1-one;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;1-propan-2-yl-3-(trifluoromethyl)-4,5-dihydrocyclopenta[d]pyrazol-6-one;[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 160979741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).