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

C73H75F15N16O5S6 — CID 158971203

IUPACdiazinan-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
SMILESCN1CCN(Cc2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cn1nc(-c2ccc(C(=O)N3CCC(=O)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCCN3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)c3cccs3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(CN3CCC(O)CC3)s2)cc1C(F)(F)F
InChIInChI=1S/C15H19F3N4S.C15H14F3N3O2S.C15H18F3N3OS.C14H15F3N4OS.C14H9F3N2OS2/c1-20-5-7-22(8-6-20)10-11-3-4-13(23-11)12-9-14(15(16,17)18)21(2)19-12;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;1-20-14(15(16,17)18)8-12(19-20)13-3-2-11(23-13)9-21-6-4-10(22)5-7-21;1-20-12(14(15,16)17)8-9(19-20)10-4-5-11(23-10)13(22)21-7-3-2-6-18-21;1-19-12(14(15,16)17)7-8(18-19)9-4-5-11(22-9)13(20)10-3-2-6-21-10/h3-4,9H,5-8,10H2,1-2H3;2-3,8H,4-7H2,1H3;2-3,8,10,22H,4-7,9H2,1H3;4-5,8,18H,2-3,6-7H2,1H3;2-7H,1H3
InChIKeyJNVMXCOWKCWAJE-UHFFFAOYSA-N
MW1733.88 g/mol
LogP16.38
Rot. Bonds13

About 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

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 (PubChem CID 158971203) has the molecular formula C73H75F15N16O5S6 and a molecular weight of 1733.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namediazinan-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
PubChem CID158971203
Molecular FormulaC73H75F15N16O5S6
Molecular Weight1733.88 g/mol
Exact Mass1732.42
IUPAC Namediazinan-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
SMILESCN1CCN(Cc2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cn1nc(-c2ccc(C(=O)N3CCC(=O)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCCN3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)c3cccs3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(CN3CCC(O)CC3)s2)cc1C(F)(F)F
InChIInChI=1S/C15H19F3N4S.C15H14F3N3O2S.C15H18F3N3OS.C14H15F3N4OS.C14H9F3N2OS2/c1-20-5-7-22(8-6-20)10-11-3-4-13(23-11)12-9-14(15(16,17)18)21(2)19-12;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;1-20-14(15(16,17)18)8-12(19-20)13-3-2-11(23-13)9-21-6-4-10(22)5-7-21;1-20-12(14(15,16)17)8-9(19-20)10-4-5-11(23-10)13(22)21-7-3-2-6-18-21;1-19-12(14(15,16)17)7-8(18-19)9-4-5-11(22-9)13(20)10-3-2-6-21-10/h3-4,9H,5-8,10H2,1-2H3;2-3,8H,4-7H2,1H3;2-3,8,10,22H,4-7,9H2,1H3;4-5,8,18H,2-3,6-7H2,1H3;2-7H,1H3
InChIKeyJNVMXCOWKCWAJE-UHFFFAOYSA-N
XLogP16.38
TPSA205.84 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds13
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001733.88
LogP ≤ 516.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCN(Cc2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cn1nc(-c2ccc(C(=O)N3CCC(=O)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCCN3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)c3cccs3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(CN3CCC(O)CC3)s2)cc1C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is JNVMXCOWKCWAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4S.C15H14F3N3O2S.C15H18F3N3OS.C14H15F3N4OS.C14H9F3N2OS2/c1-20-5-7-22(8-6-20)10-11-3-4-13(23-11)12-9-14(15(16,17)18)21(2)19-12;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;1-20-14(15(16,17)18)8-12(19-20)13-3-2-11(23-13)9-21-6-4-10(22)5-7-21;1-20-12(14(15,16)17)8-9(19-20)10-4-5-11(23-10)13(22)21-7-3-2-6-18-21;1-19-12(14(15,16)17)7-8(18-19)9-4-5-11(22-9)13(20)10-3-2-6-21-10/h3-4,9H,5-8,10H2,1-2H3;2-3,8H,4-7H2,1H3;2-3,8,10,22H,4-7,9H2,1H3;4-5,8,18H,2-3,6-7H2,1H3;2-7H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1733.88 g/mol, XLogP of 16.38, 13 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158971203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).