[5-[4-benzyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(difluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone

C112H117F20N21O6S5 — CID 159481790

About [5-[4-benzyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(difluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone

[5-[4-benzyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(difluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone (PubChem CID 159481790) has the molecular formula C112H117F20N21O6S5 and a molecular weight of 2393.60 g/mol. Its IUPAC name is [5-[4-benzyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(difluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone.

Molecular Properties

• Compound Name: [5-[4-benzyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(difluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone
• PubChem CID: 159481790
• Molecular Formula: C112H117F20N21O6S5
• Molecular Weight: 2393.60 g/mol
• Exact Mass: 2391.78
• IUPAC Name: [5-[4-benzyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(difluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone
• SMILES: Cn1nc(-c2ccc(C(=O)N3CCCCC3)s2)c(Cc2ccccc2)c1C(F)(F)F.Cn1nc(-c2ccc(CN3CCCCC3)s2)cc1C(F)(F)F.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2)s1.O=C(c1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1)N1CCCCC1.O=C(c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1)N1CCCCC1.O=C(c1ccc(-c2cc(C(F)F)[nH]n2)s1)N1CCCCC1.O=C(c1cccc(-c2cc(C(F)(F)F)[nH]n2)c1)N1CCCCC1
• InChI: InChI=1S/C22H22F3N3OS.2C16H16F3N3O.C15H16F3N3OS.C15H18F3N3S.C14H14F3N3OS.C14H15F2N3OS/c1-27-20(22(23,24)25)16(14-15-8-4-2-5-9-15)19(26-27)17-10-11-18(30-17)21(29)28-12-6-3-7-13-28;17-16(18,19)14-10-13(20-21-14)11-4-6-12(7-5-11)15(23)22-8-2-1-3-9-22;17-16(18,19)14-10-13(20-21-14)11-5-4-6-12(9-11)15(23)22-7-2-1-3-8-22;1-20-10(9-13(19-20)15(16,17)18)11-5-6-12(23-11)14(22)21-7-3-2-4-8-21;1-20-14(15(16,17)18)9-12(19-20)13-6-5-11(22-13)10-21-7-3-2-4-8-21;15-14(16,17)12-8-9(18-19-12)10-4-5-11(22-10)13(21)20-6-2-1-3-7-20;15-13(16)10-8-9(17-18-10)11-4-5-12(21-11)14(20)19-6-2-1-3-7-19/h2,4-5,8-11H,3,6-7,12-14H2,1H3;4-7,10H,1-3,8-9H2,(H,20,21);4-6,9-10H,1-3,7-8H2,(H,20,21);5-6,9H,2-4,7-8H2,1H3;5-6,9H,2-4,7-8,10H2,1H3;4-5,8H,1-3,6-7H2,(H,18,19);4-5,8,13H,1-3,6-7H2,(H,17,18)
• InChIKey: LXCBYVKYTJAOPQ-UHFFFAOYSA-N
• XLogP: 28.26
• TPSA: 293.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2393.60
LogP ≤ 5	28.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of [5-[4-benzyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(difluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone?

The IUPAC name of [5-[4-benzyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(difluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone (CID 159481790) is [5-[4-benzyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(difluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone.

What is the SMILES notation for [5-[4-benzyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(difluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone?

The canonical SMILES for [5-[4-benzyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(difluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone is Cn1nc(-c2ccc(C(=O)N3CCCCC3)s2)c(Cc2ccccc2)c1C(F)(F)F.Cn1nc(-c2ccc(CN3CCCCC3)s2)cc1C(F)(F)F.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2)s1.O=C(c1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1)N1CCCCC1.O=C(c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1)N1CCCCC1.O=C(c1ccc(-c2cc(C(F)F)[nH]n2)s1)N1CCCCC1.O=C(c1cccc(-c2cc(C(F)(F)F)[nH]n2)c1)N1CCCCC1.

What is the InChIKey of [5-[4-benzyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(difluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone?

The InChIKey is LXCBYVKYTJAOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3OS.2C16H16F3N3O.C15H16F3N3OS.C15H18F3N3S.C14H14F3N3OS.C14H15F2N3OS/c1-27-20(22(23,24)25)16(14-15-8-4-2-5-9-15)19(26-27)17-10-11-18(30-17)21(29)28-12-6-3-7-13-28;17-16(18,19)14-10-13(20-21-14)11-4-6-12(7-5-11)15(23)22-8-2-1-3-9-22;17-16(18,19)14-10-13(20-21-14)11-5-4-6-12(9-11)15(23)22-7-2-1-3-8-22;1-20-10(9-13(19-20)15(16,17)18)11-5-6-12(23-11)14(22)21-7-3-2-4-8-21;1-20-14(15(16,17)18)9-12(19-20)13-6-5-11(22-13)10-21-7-3-2-4-8-21;15-14(16,17)12-8-9(18-19-12)10-4-5-11(22-10)13(21)20-6-2-1-3-7-20;15-13(16)10-8-9(17-18-10)11-4-5-12(21-11)14(20)19-6-2-1-3-7-19/h2,4-5,8-11H,3,6-7,12-14H2,1H3;4-7,10H,1-3,8-9H2,(H,20,21);4-6,9-10H,1-3,7-8H2,(H,20,21);5-6,9H,2-4,7-8H2,1H3;5-6,9H,2-4,7-8,10H2,1H3;4-5,8H,1-3,6-7H2,(H,18,19);4-5,8,13H,1-3,6-7H2,(H,17,18).

What are the key properties of [5-[4-benzyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(difluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone?

[5-[4-benzyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(difluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone has a molecular weight of 2393.60 g/mol, XLogP of 28.26, 18 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[4-benzyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[5-(difluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanone;piperidin-1-yl-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]methanone is sourced from PubChem (CID 159481790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).