(4-ethylpiperazin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxycyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone

C112H120F22N24O10S7 — CID 160924508

IUPAC(4-ethylpiperazin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxycyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCN1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.COC1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.COCCN1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cn1nc(-c2ccc(C(=O)C3CCCC(O)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCN(c4ccccn4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CC[C@H](F)C3)s2)cc1C(F)(F)F
InChIInChI=1S/C19H18F3N5OS.C17H21F3N4O2S.C16H19F3N4OS.C16H18F3N3O2S.C16H17F3N2O2S.C14H13F4N3OS.C14H14F3N3OS/c1-25-16(19(20,21)22)12-13(24-25)14-5-6-15(29-14)18(28)27-10-8-26(9-11-27)17-4-2-3-7-23-17;1-22-15(17(18,19)20)11-12(21-22)13-3-4-14(27-13)16(25)24-7-5-23(6-8-24)9-10-26-2;1-3-22-6-8-23(9-7-22)15(24)13-5-4-12(25-13)11-10-14(16(17,18)19)21(2)20-11;1-21-14(16(17,18)19)9-11(20-21)12-3-4-13(25-12)15(23)22-7-5-10(24-2)6-8-22;1-21-14(16(17,18)19)8-11(20-21)12-5-6-13(24-12)15(23)9-3-2-4-10(22)7-9;1-20-12(14(16,17)18)6-9(19-20)10-2-3-11(23-10)13(22)21-5-4-8(15)7-21;1-19-12(14(15,16)17)8-9(18-19)10-4-5-11(22-10)13(21)20-6-2-3-7-20/h2-7,12H,8-11H2,1H3;3-4,11H,5-10H2,1-2H3;4-5,10H,3,6-9H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;5-6,8-10,22H,2-4,7H2,1H3;2-3,6,8H,4-5,7H2,1H3;4-5,8H,2-3,6-7H2,1H3/t;;;;;8-;/m.....0./s1
InChIKeySSLUHBNMUSUIPF-WJQAOHKSSA-N
MW2604.77 g/mol
LogP23.12
Rot. Bonds21

About (4-ethylpiperazin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxycyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone

(4-ethylpiperazin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxycyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 160924508) has the molecular formula C112H120F22N24O10S7 and a molecular weight of 2604.77 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxycyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxycyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID160924508
Molecular FormulaC112H120F22N24O10S7
Molecular Weight2604.77 g/mol
Exact Mass2602.73
IUPAC Name(4-ethylpiperazin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxycyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCN1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.COC1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.COCCN1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cn1nc(-c2ccc(C(=O)C3CCCC(O)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCN(c4ccccn4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CC[C@H](F)C3)s2)cc1C(F)(F)F
InChIInChI=1S/C19H18F3N5OS.C17H21F3N4O2S.C16H19F3N4OS.C16H18F3N3O2S.C16H17F3N2O2S.C14H13F4N3OS.C14H14F3N3OS/c1-25-16(19(20,21)22)12-13(24-25)14-5-6-15(29-14)18(28)27-10-8-26(9-11-27)17-4-2-3-7-23-17;1-22-15(17(18,19)20)11-12(21-22)13-3-4-14(27-13)16(25)24-7-5-23(6-8-24)9-10-26-2;1-3-22-6-8-23(9-7-22)15(24)13-5-4-12(25-13)11-10-14(16(17,18)19)21(2)20-11;1-21-14(16(17,18)19)9-11(20-21)12-3-4-13(25-12)15(23)22-7-5-10(24-2)6-8-22;1-21-14(16(17,18)19)8-11(20-21)12-5-6-13(24-12)15(23)9-3-2-4-10(22)7-9;1-20-12(14(16,17)18)6-9(19-20)10-2-3-11(23-10)13(22)21-5-4-8(15)7-21;1-19-12(14(15,16)17)8-9(18-19)10-4-5-11(22-10)13(21)20-6-2-3-7-20/h2-7,12H,8-11H2,1H3;3-4,11H,5-10H2,1-2H3;4-5,10H,3,6-9H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;5-6,8-10,22H,2-4,7H2,1H3;2-3,6,8H,4-5,7H2,1H3;4-5,8H,2-3,6-7H2,1H3/t;;;;;8-;/m.....0./s1
InChIKeySSLUHBNMUSUIPF-WJQAOHKSSA-N
XLogP23.12
TPSA324.97 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds21
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002604.77
LogP ≤ 523.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Analyze (4-ethylpiperazin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxycyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
CID 58955900
aziridin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
CID 58955761
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86924247
(4-hydroxypiperidin-1-yl)-[5-[1-prop-1-en-2-yl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
CID 162559924
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl chloride
CID 22288389
N-(cyclohexylmethyl)-5-[5-(1,1-difluoropropyl)-1-methylpyrazol-3-yl]thiophene-2-carboxamide
CID 143533891
2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone
CID 25280317
1-azabicyclo[2.2.2]octan-3-ylmethyl 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxylate
CID 70827537
N-(2-bicyclo[2.2.2]octanyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 58329684
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide
CID 23628030
2-[4-(5-pyridin-2-ylthiophene-2-carbonyl)-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3697380
[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 23966161

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxycyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxycyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone (CID 160924508) is (4-ethylpiperazin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxycyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxycyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxycyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone is CCN1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.COC1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.COCCN1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cn1nc(-c2ccc(C(=O)C3CCCC(O)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCN(c4ccccn4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CC[C@H](F)C3)s2)cc1C(F)(F)F.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxycyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is SSLUHBNMUSUIPF-WJQAOHKSSA-N. The full InChI is InChI=1S/C19H18F3N5OS.C17H21F3N4O2S.C16H19F3N4OS.C16H18F3N3O2S.C16H17F3N2O2S.C14H13F4N3OS.C14H14F3N3OS/c1-25-16(19(20,21)22)12-13(24-25)14-5-6-15(29-14)18(28)27-10-8-26(9-11-27)17-4-2-3-7-23-17;1-22-15(17(18,19)20)11-12(21-22)13-3-4-14(27-13)16(25)24-7-5-23(6-8-24)9-10-26-2;1-3-22-6-8-23(9-7-22)15(24)13-5-4-12(25-13)11-10-14(16(17,18)19)21(2)20-11;1-21-14(16(17,18)19)9-11(20-21)12-3-4-13(25-12)15(23)22-7-5-10(24-2)6-8-22;1-21-14(16(17,18)19)8-11(20-21)12-5-6-13(24-12)15(23)9-3-2-4-10(22)7-9;1-20-12(14(16,17)18)6-9(19-20)10-2-3-11(23-10)13(22)21-5-4-8(15)7-21;1-19-12(14(15,16)17)8-9(18-19)10-4-5-11(22-10)13(21)20-6-2-3-7-20/h2-7,12H,8-11H2,1H3;3-4,11H,5-10H2,1-2H3;4-5,10H,3,6-9H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;5-6,8-10,22H,2-4,7H2,1H3;2-3,6,8H,4-5,7H2,1H3;4-5,8H,2-3,6-7H2,1H3/t;;;;;8-;/m.....0./s1.
What are the key properties of (4-ethylpiperazin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxycyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone?
(4-ethylpiperazin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxycyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 2604.77 g/mol, XLogP of 23.12, 21 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-hydroxycyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-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]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 160924508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).