[3-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine;piperidin-1-yl-[5-[4-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone

C110H119F21N22O11S8 — CID 158350880

About [3-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine;piperidin-1-yl-[5-[4-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone

[3-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine;piperidin-1-yl-[5-[4-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone (PubChem CID 158350880) has the molecular formula C110H119F21N22O11S8 and a molecular weight of 2580.80 g/mol. Its IUPAC name is [3-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine;piperidin-1-yl-[5-[4-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone.

Molecular Properties

• Compound Name: [3-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine;piperidin-1-yl-[5-[4-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone
• PubChem CID: 158350880
• Molecular Formula: C110H119F21N22O11S8
• Molecular Weight: 2580.80 g/mol
• Exact Mass: 2578.69
• IUPAC Name: [3-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine;piperidin-1-yl-[5-[4-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone
• SMILES: C=CCc1c(-c2ccc(C(=O)N3CCCCC3)s2)n[nH]c1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3CCCCC3)s2)n[nH]c1C(F)(F)F.Cc1cc(-c2cc(C(F)(F)F)n(C)n2)sc1C(=O)N1CCCCC1.Cc1cc(C(=O)N2CCCCC2)sc1-c1cc(C(F)(F)F)n(C)n1.Cn1nc(-c2ccc(C(=O)N3CCCC(C(N)=O)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCCC3C(=O)O)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(S(=O)(=O)N3CCCCC3)s2)cc1C(F)(F)F
• InChI: InChI=1S/C17H18F3N3OS.C16H17F3N4O2S.C16H16F3N3O3S.2C16H18F3N3OS.C15H16F3N3OS.C14H16F3N3O2S2/c1-2-6-11-14(21-22-15(11)17(18,19)20)12-7-8-13(25-12)16(24)23-9-4-3-5-10-23;1-22-13(16(17,18)19)7-10(21-22)11-4-5-12(26-11)15(25)23-6-2-3-9(8-23)14(20)24;1-21-13(16(17,18)19)8-9(20-21)11-5-6-12(26-11)14(23)22-7-3-2-4-10(22)15(24)25;1-10-8-12(15(23)22-6-4-3-5-7-22)24-14(10)11-9-13(16(17,18)19)21(2)20-11;1-10-8-12(11-9-13(16(17,18)19)21(2)20-11)24-14(10)15(23)22-6-4-3-5-7-22;1-9-12(19-20-13(9)15(16,17)18)10-5-6-11(23-10)14(22)21-7-3-2-4-8-21;1-19-12(14(15,16)17)9-10(18-19)11-5-6-13(23-11)24(21,22)20-7-3-2-4-8-20/h2,7-8H,1,3-6,9-10H2,(H,21,22);4-5,7,9H,2-3,6,8H2,1H3,(H2,20,24);5-6,8,10H,2-4,7H2,1H3,(H,24,25);2*8-9H,3-7H2,1-2H3;5-6H,2-4,7-8H2,1H3,(H,19,20);5-6,9H,2-4,7-8H2,1H3
• InChIKey: GSHNVRUDIYZTTD-UHFFFAOYSA-N
• XLogP: 25.90
• TPSA: 386.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2580.80
LogP ≤ 5	25.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine;piperidin-1-yl-[5-[4-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone?

The IUPAC name of [3-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine;piperidin-1-yl-[5-[4-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone (CID 158350880) is [3-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine;piperidin-1-yl-[5-[4-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone.

What is the SMILES notation for [3-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine;piperidin-1-yl-[5-[4-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone?

The canonical SMILES for [3-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine;piperidin-1-yl-[5-[4-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone is C=CCc1c(-c2ccc(C(=O)N3CCCCC3)s2)n[nH]c1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3CCCCC3)s2)n[nH]c1C(F)(F)F.Cc1cc(-c2cc(C(F)(F)F)n(C)n2)sc1C(=O)N1CCCCC1.Cc1cc(C(=O)N2CCCCC2)sc1-c1cc(C(F)(F)F)n(C)n1.Cn1nc(-c2ccc(C(=O)N3CCCC(C(N)=O)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCCC3C(=O)O)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(S(=O)(=O)N3CCCCC3)s2)cc1C(F)(F)F.

What is the InChIKey of [3-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine;piperidin-1-yl-[5-[4-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone?

The InChIKey is GSHNVRUDIYZTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3OS.C16H17F3N4O2S.C16H16F3N3O3S.2C16H18F3N3OS.C15H16F3N3OS.C14H16F3N3O2S2/c1-2-6-11-14(21-22-15(11)17(18,19)20)12-7-8-13(25-12)16(24)23-9-4-3-5-10-23;1-22-13(16(17,18)19)7-10(21-22)11-4-5-12(26-11)15(25)23-6-2-3-9(8-23)14(20)24;1-21-13(16(17,18)19)8-9(20-21)11-5-6-12(26-11)14(23)22-7-3-2-4-10(22)15(24)25;1-10-8-12(15(23)22-6-4-3-5-7-22)24-14(10)11-9-13(16(17,18)19)21(2)20-11;1-10-8-12(11-9-13(16(17,18)19)21(2)20-11)24-14(10)15(23)22-6-4-3-5-7-22;1-9-12(19-20-13(9)15(16,17)18)10-5-6-11(23-10)14(22)21-7-3-2-4-8-21;1-19-12(14(15,16)17)9-10(18-19)11-5-6-13(23-11)24(21,22)20-7-3-2-4-8-20/h2,7-8H,1,3-6,9-10H2,(H,21,22);4-5,7,9H,2-3,6,8H2,1H3,(H2,20,24);5-6,8,10H,2-4,7H2,1H3,(H,24,25);2*8-9H,3-7H2,1-2H3;5-6H,2-4,7-8H2,1H3,(H,19,20);5-6,9H,2-4,7-8H2,1H3.

What are the key properties of [3-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine;piperidin-1-yl-[5-[4-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone?

[3-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine;piperidin-1-yl-[5-[4-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone has a molecular weight of 2580.80 g/mol, XLogP of 25.90, 19 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [3-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[4-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylpiperidine;piperidin-1-yl-[5-[4-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone is sourced from PubChem (CID 158350880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).