azocan-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-(2-methoxyethyl)piperazin-1-yl]-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;(4-pyridin-2-ylpiperazin-1-yl)-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone

C114H118F27N25O10S7 — CID 158311874

About azocan-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-(2-methoxyethyl)piperazin-1-yl]-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;(4-pyridin-2-ylpiperazin-1-yl)-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone

azocan-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-(2-methoxyethyl)piperazin-1-yl]-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;(4-pyridin-2-ylpiperazin-1-yl)-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone (PubChem CID 158311874) has the molecular formula C114H118F27N25O10S7 and a molecular weight of 2735.78 g/mol. Its IUPAC name is azocan-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-(2-methoxyethyl)piperazin-1-yl]-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;(4-pyridin-2-ylpiperazin-1-yl)-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone.

Molecular Properties

• Compound Name: azocan-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-(2-methoxyethyl)piperazin-1-yl]-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;(4-pyridin-2-ylpiperazin-1-yl)-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone
• PubChem CID: 158311874
• Molecular Formula: C114H118F27N25O10S7
• Molecular Weight: 2735.78 g/mol
• Exact Mass: 2733.71
• IUPAC Name: azocan-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-(2-methoxyethyl)piperazin-1-yl]-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;(4-pyridin-2-ylpiperazin-1-yl)-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone
• SMILES: COCCN1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)CC1.Cn1nc(-c2ccc(C(=O)N3CCC(C(F)(F)F)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC(C(F)(F)F)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC(O)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCCC3C(N)=O)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCCCCC3)s2)cc1C(F)(F)F.O=C(c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1)N1CCN(c2ccccn2)CC1
• InChI: InChI=1S/C18H16F3N5OS.C17H20F3N3OS.2C16H15F6N3OS.C16H19F3N4O2S.C16H17F3N4O2S.C15H16F3N3O2S/c19-18(20,21)15-11-12(23-24-15)13-4-5-14(28-13)17(27)26-9-7-25(8-10-26)16-3-1-2-6-22-16;1-22-15(17(18,19)20)11-12(21-22)13-7-8-14(25-13)16(24)23-9-5-3-2-4-6-10-23;1-24-13(16(20,21)22)8-10(23-24)11-2-3-12(27-11)14(26)25-6-4-9(5-7-25)15(17,18)19;1-24-13(16(20,21)22)7-10(23-24)11-4-5-12(27-11)14(26)25-6-2-3-9(8-25)15(17,18)19;1-25-9-8-22-4-6-23(7-5-22)15(24)13-3-2-12(26-13)11-10-14(21-20-11)16(17,18)19;1-22-13(16(17,18)19)8-9(21-22)11-5-6-12(26-11)15(25)23-7-3-2-4-10(23)14(20)24;1-20-13(15(16,17)18)7-10(19-20)11-4-5-12(24-11)14(23)21-6-2-3-9(22)8-21/h1-6,11H,7-10H2,(H,23,24);7-8,11H,2-6,9-10H2,1H3;2-3,8-9H,4-7H2,1H3;4-5,7,9H,2-3,6,8H2,1H3;2-3,10H,4-9H2,1H3,(H,20,21);5-6,8,10H,2-4,7H2,1H3,(H2,20,24);4-5,7,9,22H,2-3,6,8H2,1H3
• InChIKey: GNTUVVGVLHEFQE-UHFFFAOYSA-N
• XLogP: 25.22
• TPSA: 380.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2735.78
LogP ≤ 5	25.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of azocan-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-(2-methoxyethyl)piperazin-1-yl]-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;(4-pyridin-2-ylpiperazin-1-yl)-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone?

The IUPAC name of azocan-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-(2-methoxyethyl)piperazin-1-yl]-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;(4-pyridin-2-ylpiperazin-1-yl)-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone (CID 158311874) is azocan-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-(2-methoxyethyl)piperazin-1-yl]-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;(4-pyridin-2-ylpiperazin-1-yl)-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone.

What is the SMILES notation for azocan-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-(2-methoxyethyl)piperazin-1-yl]-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;(4-pyridin-2-ylpiperazin-1-yl)-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone?

The canonical SMILES for azocan-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-(2-methoxyethyl)piperazin-1-yl]-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;(4-pyridin-2-ylpiperazin-1-yl)-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone is COCCN1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)CC1.Cn1nc(-c2ccc(C(=O)N3CCC(C(F)(F)F)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC(C(F)(F)F)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC(O)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCCC3C(N)=O)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCCCCC3)s2)cc1C(F)(F)F.O=C(c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1)N1CCN(c2ccccn2)CC1.

What is the InChIKey of azocan-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-(2-methoxyethyl)piperazin-1-yl]-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;(4-pyridin-2-ylpiperazin-1-yl)-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone?

The InChIKey is GNTUVVGVLHEFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5OS.C17H20F3N3OS.2C16H15F6N3OS.C16H19F3N4O2S.C16H17F3N4O2S.C15H16F3N3O2S/c19-18(20,21)15-11-12(23-24-15)13-4-5-14(28-13)17(27)26-9-7-25(8-10-26)16-3-1-2-6-22-16;1-22-15(17(18,19)20)11-12(21-22)13-7-8-14(25-13)16(24)23-9-5-3-2-4-6-10-23;1-24-13(16(20,21)22)8-10(23-24)11-2-3-12(27-11)14(26)25-6-4-9(5-7-25)15(17,18)19;1-24-13(16(20,21)22)7-10(23-24)11-4-5-12(27-11)14(26)25-6-2-3-9(8-25)15(17,18)19;1-25-9-8-22-4-6-23(7-5-22)15(24)13-3-2-12(26-13)11-10-14(21-20-11)16(17,18)19;1-22-13(16(17,18)19)8-9(21-22)11-5-6-12(26-11)15(25)23-7-3-2-4-10(23)14(20)24;1-20-13(15(16,17)18)7-10(19-20)11-4-5-12(24-11)14(23)21-6-2-3-9(22)8-21/h1-6,11H,7-10H2,(H,23,24);7-8,11H,2-6,9-10H2,1H3;2-3,8-9H,4-7H2,1H3;4-5,7,9H,2-3,6,8H2,1H3;2-3,10H,4-9H2,1H3,(H,20,21);5-6,8,10H,2-4,7H2,1H3,(H2,20,24);4-5,7,9,22H,2-3,6,8H2,1H3.

What are the key properties of azocan-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-(2-methoxyethyl)piperazin-1-yl]-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;(4-pyridin-2-ylpiperazin-1-yl)-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone?

azocan-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-(2-methoxyethyl)piperazin-1-yl]-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;(4-pyridin-2-ylpiperazin-1-yl)-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone has a molecular weight of 2735.78 g/mol, XLogP of 25.22, 19 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for azocan-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-(2-methoxyethyl)piperazin-1-yl]-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;(4-pyridin-2-ylpiperazin-1-yl)-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone is sourced from PubChem (CID 158311874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).