[4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone

C85H86ClF15N18O8S5 — CID 161362732

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCn1nc(-c2ccc(C(=O)N3CCC(O)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCN(CCO)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CC[C@@H](O)C3)s2)cc1C(F)(F)F
InChIInChI=1S/C20H18ClF3N4OS.C20H19F3N4OS.C16H19F3N4O2S.C15H16F3N3O2S.C14H14F3N3O2S/c1-26-18(20(22,23)24)12-15(25-26)16-6-7-17(30-16)19(29)28-10-8-27(9-11-28)14-4-2-13(21)3-5-14;1-25-18(20(21,22)23)13-15(24-25)16-7-8-17(29-16)19(28)27-11-9-26(10-12-27)14-5-3-2-4-6-14;1-21-14(16(17,18)19)10-11(20-21)12-2-3-13(26-12)15(25)23-6-4-22(5-7-23)8-9-24;1-20-13(15(16,17)18)8-10(19-20)11-2-3-12(24-11)14(23)21-6-4-9(22)5-7-21;1-19-12(14(15,16)17)6-9(18-19)10-2-3-11(23-10)13(22)20-5-4-8(21)7-20/h2-7,12H,8-11H2,1H3;2-8,13H,9-12H2,1H3;2-3,10,24H,4-9H2,1H3;2-3,8-9,22H,4-7H2,1H3;2-3,6,8,21H,4-5,7H2,1H3/t;;;;8-/m....1/s1
InChIKeyVPJZYBVPYAUGJK-XYTDPLJASA-N
MW1968.50 g/mol
LogP15.97
Rot. Bonds14

About [4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone

[4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 161362732) has the molecular formula C85H86ClF15N18O8S5 and a molecular weight of 1968.50 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID161362732
Molecular FormulaC85H86ClF15N18O8S5
Molecular Weight1968.50 g/mol
Exact Mass1966.49
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCn1nc(-c2ccc(C(=O)N3CCC(O)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCN(CCO)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CC[C@@H](O)C3)s2)cc1C(F)(F)F
InChIInChI=1S/C20H18ClF3N4OS.C20H19F3N4OS.C16H19F3N4O2S.C15H16F3N3O2S.C14H14F3N3O2S/c1-26-18(20(22,23)24)12-15(25-26)16-6-7-17(30-16)19(29)28-10-8-27(9-11-28)14-4-2-13(21)3-5-14;1-25-18(20(21,22)23)13-15(24-25)16-7-8-17(29-16)19(28)27-11-9-26(10-12-27)14-5-3-2-4-6-14;1-21-14(16(17,18)19)10-11(20-21)12-2-3-13(26-12)15(25)23-6-4-22(5-7-23)8-9-24;1-20-13(15(16,17)18)8-10(19-20)11-2-3-12(24-11)14(23)21-6-4-9(22)5-7-21;1-19-12(14(15,16)17)6-9(18-19)10-2-3-11(23-10)13(22)20-5-4-8(21)7-20/h2-7,12H,8-11H2,1H3;2-8,13H,9-12H2,1H3;2-3,10,24H,4-9H2,1H3;2-3,8-9,22H,4-7H2,1H3;2-3,6,8,21H,4-5,7H2,1H3/t;;;;8-/m....1/s1
InChIKeyVPJZYBVPYAUGJK-XYTDPLJASA-N
XLogP15.97
TPSA261.06 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds14
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001968.50
LogP ≤ 515.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze [4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone with MolForge

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Related Compounds

Azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazin-1-yl]ethanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 157057091
N-benzyl-N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-(4-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide
CID 157174965
(4-Aminopiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3,3-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4,4-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 157347961
5-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylthiophene-2-carboxamide;5-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylthiophene-2-carboxamide;4-[1-cyclopentyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;N,N-dimethyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N,N-dimethyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide
CID 157629777
Azetidin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(4-fluorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(hydroxymethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazin-1-yl]ethanone
CID 157909734
(3,5-dimethylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-ethylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;[4-(4-fluorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 157986705
[4-(4-Chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazin-1-yl]ethanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperidin-1-yl)methanone
CID 158767079
Diazinan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-methyl-4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperazine;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-thiophen-2-ylmethanone
CID 158971203
N-benzyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-cyclohexyl-N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;(2,6-dimethylmorpholin-4-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(3-methoxypropyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 159411551
[4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(4-fluorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 160093952
5-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylthiophene-2-carboxamide;5-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylthiophene-2-carboxamide;N,N-dimethyl-5-[1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N,N-dimethyl-5-[3-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]thiophene-2-carboxamide;5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylthiophene-2-carboxamide;5-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylthiophene-2-carboxamide;5-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylthiophene-2-carboxamide
CID 160333359
[(3S)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;tert-butyl N-[1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-yl]carbamate;[4-(difluoromethylidene)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidin-4-ol
CID 161136700

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 161362732) is [4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone is Cn1nc(-c2ccc(C(=O)N3CCC(O)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCN(CCO)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CC[C@@H](O)C3)s2)cc1C(F)(F)F.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is VPJZYBVPYAUGJK-XYTDPLJASA-N. The full InChI is InChI=1S/C20H18ClF3N4OS.C20H19F3N4OS.C16H19F3N4O2S.C15H16F3N3O2S.C14H14F3N3O2S/c1-26-18(20(22,23)24)12-15(25-26)16-6-7-17(30-16)19(29)28-10-8-27(9-11-28)14-4-2-13(21)3-5-14;1-25-18(20(21,22)23)13-15(24-25)16-7-8-17(29-16)19(28)27-11-9-26(10-12-27)14-5-3-2-4-6-14;1-21-14(16(17,18)19)10-11(20-21)12-2-3-13(26-12)15(25)23-6-4-22(5-7-23)8-9-24;1-20-13(15(16,17)18)8-10(19-20)11-2-3-12(24-11)14(23)21-6-4-9(22)5-7-21;1-19-12(14(15,16)17)6-9(18-19)10-2-3-11(23-10)13(22)20-5-4-8(21)7-20/h2-7,12H,8-11H2,1H3;2-8,13H,9-12H2,1H3;2-3,10,24H,4-9H2,1H3;2-3,8-9,22H,4-7H2,1H3;2-3,6,8,21H,4-5,7H2,1H3/t;;;;8-/m....1/s1.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 1968.50 g/mol, XLogP of 15.97, 14 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 161362732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).