1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]propan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-[3-methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]ethanone;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butan-2-one;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one

C166H160Cl6F29N33O8 — CID 160624632

IUPAC1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]propan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-[3-methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]ethanone;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butan-2-one;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one
SMILESCCc1c(CC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cnn1-c1ccc(F)cc1.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Cc1cnn(-c2ccc(F)cc2)c1-c1ccccc1.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Cc1cnn(-c2ccc(F)cc2)c1C(C)C.Cc1nc(C(F)(F)F)c2n1C(C(=O)Cc1cnn(-c3ccc(Cl)cc3)c1C(C)C)CCC2.Cc1nc(C(F)(F)F)cn1C(C)C(=O)Cc1cnn(-c2ccc(F)cc2)c1C.Cc1nc(C(F)(F)F)cn1[C@@H](C)C(=O)Cc1cnn(-c2ccc(Cl)cc2)c1C(C)C.Cc1nc(C(F)(F)F)cn1[C@@H](C)C(=O)Cc1cnn(-c2ccc(F)cc2)c1C(C)C.Cc1nc(C(F)(F)F)nn1C(C)C(=O)Cc1cnn(-c2ccc(Cl)cc2)c1C(C)C
InChIInChI=1S/C23H17ClF4N4O.C23H24ClF3N4O.C21H22ClF3N4O.C21H22F4N4O.C20H19ClF4N4O.C20H21ClF3N5O.C19H17ClF4N4O.C19H18F4N4O/c1-14-20(24)22(23(26,27)28)30-31(14)13-19(33)11-16-12-29-32(18-9-7-17(25)8-10-18)21(16)15-5-3-2-4-6-15;1-13(2)21-15(12-28-31(21)17-9-7-16(24)8-10-17)11-20(32)18-5-4-6-19-22(23(25,26)27)29-14(3)30(18)19;2*1-12(2)20-15(10-26-29(20)17-7-5-16(22)6-8-17)9-18(30)13(3)28-11-19(21(23,24)25)27-14(28)4;1-11(2)18-13(9-26-29(18)15-6-4-14(22)5-7-15)8-16(30)10-28-12(3)17(21)19(27-28)20(23,24)25;1-11(2)18-14(10-25-29(18)16-7-5-15(21)6-8-16)9-17(30)12(3)28-13(4)26-19(27-28)20(22,23)24;1-3-16-12(9-25-28(16)14-6-4-13(21)5-7-14)8-15(29)10-27-11(2)17(20)18(26-27)19(22,23)24;1-11-14(9-24-27(11)16-6-4-15(20)5-7-16)8-17(28)12(2)26-10-18(19(21,22)23)25-13(26)3/h2-10,12H,11,13H2,1H3;7-10,12-13,18H,4-6,11H2,1-3H3;2*5-8,10-13H,9H2,1-4H3;4-7,9,11H,8,10H2,1-3H3;5-8,10-12H,9H2,1-4H3;4-7,9H,3,8,10H2,1-2H3;4-7,9-10,12H,8H2,1-3H3/t;;2*13-;;;;/m..00..../s1
InChIKeyRHDFDLMMANTYQS-PTJHMLIISA-N
MW3508.99 g/mol
LogP40.95
Rot. Bonds46

About 1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]propan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-[3-methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]ethanone;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butan-2-one;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one

1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]propan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-[3-methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]ethanone;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butan-2-one;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one (PubChem CID 160624632) has the molecular formula C166H160Cl6F29N33O8 and a molecular weight of 3508.99 g/mol. Its IUPAC name is 1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]propan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-[3-methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]ethanone;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butan-2-one;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one.

Molecular Properties

Compound Name1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]propan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-[3-methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]ethanone;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butan-2-one;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one
PubChem CID160624632
Molecular FormulaC166H160Cl6F29N33O8
Molecular Weight3508.99 g/mol
Exact Mass3504.08
IUPAC Name1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]propan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-[3-methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]ethanone;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butan-2-one;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one
SMILESCCc1c(CC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cnn1-c1ccc(F)cc1.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Cc1cnn(-c2ccc(F)cc2)c1-c1ccccc1.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Cc1cnn(-c2ccc(F)cc2)c1C(C)C.Cc1nc(C(F)(F)F)c2n1C(C(=O)Cc1cnn(-c3ccc(Cl)cc3)c1C(C)C)CCC2.Cc1nc(C(F)(F)F)cn1C(C)C(=O)Cc1cnn(-c2ccc(F)cc2)c1C.Cc1nc(C(F)(F)F)cn1[C@@H](C)C(=O)Cc1cnn(-c2ccc(Cl)cc2)c1C(C)C.Cc1nc(C(F)(F)F)cn1[C@@H](C)C(=O)Cc1cnn(-c2ccc(F)cc2)c1C(C)C.Cc1nc(C(F)(F)F)nn1C(C)C(=O)Cc1cnn(-c2ccc(Cl)cc2)c1C(C)C
InChIInChI=1S/C23H17ClF4N4O.C23H24ClF3N4O.C21H22ClF3N4O.C21H22F4N4O.C20H19ClF4N4O.C20H21ClF3N5O.C19H17ClF4N4O.C19H18F4N4O/c1-14-20(24)22(23(26,27)28)30-31(14)13-19(33)11-16-12-29-32(18-9-7-17(25)8-10-18)21(16)15-5-3-2-4-6-15;1-13(2)21-15(12-28-31(21)17-9-7-16(24)8-10-17)11-20(32)18-5-4-6-19-22(23(25,26)27)29-14(3)30(18)19;2*1-12(2)20-15(10-26-29(20)17-7-5-16(22)6-8-17)9-18(30)13(3)28-11-19(21(23,24)25)27-14(28)4;1-11(2)18-13(9-26-29(18)15-6-4-14(22)5-7-15)8-16(30)10-28-12(3)17(21)19(27-28)20(23,24)25;1-11(2)18-14(10-25-29(18)16-7-5-15(21)6-8-16)9-17(30)12(3)28-13(4)26-19(27-28)20(22,23)24;1-3-16-12(9-25-28(16)14-6-4-13(21)5-7-14)8-15(29)10-27-11(2)17(20)18(26-27)19(22,23)24;1-11-14(9-24-27(11)16-6-4-15(20)5-7-16)8-17(28)12(2)26-10-18(19(21,22)23)25-13(26)3/h2-10,12H,11,13H2,1H3;7-10,12-13,18H,4-6,11H2,1-3H3;2*5-8,10-13H,9H2,1-4H3;4-7,9,11H,8,10H2,1-3H3;5-8,10-12H,9H2,1-4H3;4-7,9H,3,8,10H2,1-2H3;4-7,9-10,12H,8H2,1-3H3/t;;2*13-;;;;/m..00..../s1
InChIKeyRHDFDLMMANTYQS-PTJHMLIISA-N
XLogP40.95
TPSA434.57 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds46
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003508.99
LogP ≤ 540.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze 1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]propan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-[3-methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]ethanone;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butan-2-one;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]propan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-[3-methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]ethanone;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butan-2-one;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one?
The IUPAC name of 1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]propan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-[3-methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]ethanone;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butan-2-one;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one (CID 160624632) is 1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]propan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-[3-methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]ethanone;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butan-2-one;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one.
What is the SMILES notation for 1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]propan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-[3-methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]ethanone;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butan-2-one;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one?
The canonical SMILES for 1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]propan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-[3-methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]ethanone;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butan-2-one;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one is CCc1c(CC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cnn1-c1ccc(F)cc1.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Cc1cnn(-c2ccc(F)cc2)c1-c1ccccc1.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Cc1cnn(-c2ccc(F)cc2)c1C(C)C.Cc1nc(C(F)(F)F)c2n1C(C(=O)Cc1cnn(-c3ccc(Cl)cc3)c1C(C)C)CCC2.Cc1nc(C(F)(F)F)cn1C(C)C(=O)Cc1cnn(-c2ccc(F)cc2)c1C.Cc1nc(C(F)(F)F)cn1[C@@H](C)C(=O)Cc1cnn(-c2ccc(Cl)cc2)c1C(C)C.Cc1nc(C(F)(F)F)cn1[C@@H](C)C(=O)Cc1cnn(-c2ccc(F)cc2)c1C(C)C.Cc1nc(C(F)(F)F)nn1C(C)C(=O)Cc1cnn(-c2ccc(Cl)cc2)c1C(C)C.
What is the InChIKey of 1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]propan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-[3-methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]ethanone;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butan-2-one;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one?
The InChIKey is RHDFDLMMANTYQS-PTJHMLIISA-N. The full InChI is InChI=1S/C23H17ClF4N4O.C23H24ClF3N4O.C21H22ClF3N4O.C21H22F4N4O.C20H19ClF4N4O.C20H21ClF3N5O.C19H17ClF4N4O.C19H18F4N4O/c1-14-20(24)22(23(26,27)28)30-31(14)13-19(33)11-16-12-29-32(18-9-7-17(25)8-10-18)21(16)15-5-3-2-4-6-15;1-13(2)21-15(12-28-31(21)17-9-7-16(24)8-10-17)11-20(32)18-5-4-6-19-22(23(25,26)27)29-14(3)30(18)19;2*1-12(2)20-15(10-26-29(20)17-7-5-16(22)6-8-17)9-18(30)13(3)28-11-19(21(23,24)25)27-14(28)4;1-11(2)18-13(9-26-29(18)15-6-4-14(22)5-7-15)8-16(30)10-28-12(3)17(21)19(27-28)20(23,24)25;1-11(2)18-14(10-25-29(18)16-7-5-15(21)6-8-16)9-17(30)12(3)28-13(4)26-19(27-28)20(22,23)24;1-3-16-12(9-25-28(16)14-6-4-13(21)5-7-14)8-15(29)10-27-11(2)17(20)18(26-27)19(22,23)24;1-11-14(9-24-27(11)16-6-4-15(20)5-7-16)8-17(28)12(2)26-10-18(19(21,22)23)25-13(26)3/h2-10,12H,11,13H2,1H3;7-10,12-13,18H,4-6,11H2,1-3H3;2*5-8,10-13H,9H2,1-4H3;4-7,9,11H,8,10H2,1-3H3;5-8,10-12H,9H2,1-4H3;4-7,9H,3,8,10H2,1-2H3;4-7,9-10,12H,8H2,1-3H3/t;;2*13-;;;;/m..00..../s1.
What are the key properties of 1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]propan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-[3-methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]ethanone;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butan-2-one;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one?
1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]propan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-[3-methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]ethanone;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butan-2-one;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one has a molecular weight of 3508.99 g/mol, XLogP of 40.95, 46 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-phenylpyrazol-4-yl]propan-2-one;1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]propan-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-[3-methyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]ethanone;1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]butan-2-one;1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one is sourced from PubChem (CID 160624632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).