4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N',N'-dimethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbohydrazide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;6-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide

C88H85F18N23O8S2 — CID 159043596

About 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N',N'-dimethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbohydrazide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;6-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide

4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N',N'-dimethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbohydrazide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;6-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 159043596) has the molecular formula C88H85F18N23O8S2 and a molecular weight of 1998.90 g/mol. Its IUPAC name is 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N',N'-dimethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbohydrazide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;6-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N',N'-dimethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbohydrazide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;6-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
• PubChem CID: 159043596
• Molecular Formula: C88H85F18N23O8S2
• Molecular Weight: 1998.90 g/mol
• Exact Mass: 1997.61
• IUPAC Name: 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N',N'-dimethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbohydrazide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;6-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
• SMILES: CN(C)C(=O)c1cc(-c2cc(C(F)(F)F)nn2CCO)ccn1.CN(C)C(=O)c1cc(-c2cc(C(F)(F)F)nn2Cc2ccccc2)ccn1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)n(-c3ccccc3)n2)n1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2CCO)n1.CN(C)NC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1
• InChI: InChI=1S/C19H17F3N4O.C18H15F3N4O.2C14H15F3N4O2.C12H13F3N4OS.C11H10F3N3OS/c1-25(2)18(27)15-10-14(8-9-23-15)16-11-17(19(20,21)22)24-26(16)12-13-6-4-3-5-7-13;1-24(2)17(26)14-10-6-9-13(22-14)15-11-16(18(19,20)21)25(23-15)12-7-4-3-5-8-12;1-20(2)13(23)10-7-9(3-4-18-10)11-8-12(14(15,16)17)19-21(11)5-6-22;1-20(2)13(23)10-5-3-4-9(18-10)11-8-12(14(15,16)17)19-21(11)6-7-22;1-18(2)17-11(20)9-5-4-8(21-9)7-6-10(12(13,14)15)19(3)16-7;1-15-10(18)8-4-3-7(19-8)6-5-9(11(12,13)14)17(2)16-6/h3-11H,12H2,1-2H3;3-11H,1-2H3;3-4,7-8,22H,5-6H2,1-2H3;3-5,8,22H,6-7H2,1-2H3;4-6H,1-3H3,(H,17,20);3-5H,1-2H3,(H,15,18)
• InChIKey: JWJLQOSEVZDTDB-UHFFFAOYSA-N
• XLogP: 15.59
• TPSA: 341.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1998.90
LogP ≤ 5	15.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N',N'-dimethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbohydrazide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;6-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?

The IUPAC name of 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N',N'-dimethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbohydrazide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;6-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide (CID 159043596) is 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N',N'-dimethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbohydrazide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;6-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide.

What is the SMILES notation for 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N',N'-dimethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbohydrazide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;6-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?

The canonical SMILES for 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N',N'-dimethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbohydrazide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;6-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide is CN(C)C(=O)c1cc(-c2cc(C(F)(F)F)nn2CCO)ccn1.CN(C)C(=O)c1cc(-c2cc(C(F)(F)F)nn2Cc2ccccc2)ccn1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)n(-c3ccccc3)n2)n1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2CCO)n1.CN(C)NC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.CNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.

What is the InChIKey of 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N',N'-dimethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbohydrazide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;6-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?

The InChIKey is JWJLQOSEVZDTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O.C18H15F3N4O.2C14H15F3N4O2.C12H13F3N4OS.C11H10F3N3OS/c1-25(2)18(27)15-10-14(8-9-23-15)16-11-17(19(20,21)22)24-26(16)12-13-6-4-3-5-7-13;1-24(2)17(26)14-10-6-9-13(22-14)15-11-16(18(19,20)21)25(23-15)12-7-4-3-5-8-12;1-20(2)13(23)10-7-9(3-4-18-10)11-8-12(14(15,16)17)19-21(11)5-6-22;1-20(2)13(23)10-5-3-4-9(18-10)11-8-12(14(15,16)17)19-21(11)6-7-22;1-18(2)17-11(20)9-5-4-8(21-9)7-6-10(12(13,14)15)19(3)16-7;1-15-10(18)8-4-3-7(19-8)6-5-9(11(12,13)14)17(2)16-6/h3-11H,12H2,1-2H3;3-11H,1-2H3;3-4,7-8,22H,5-6H2,1-2H3;3-5,8,22H,6-7H2,1-2H3;4-6H,1-3H3,(H,17,20);3-5H,1-2H3,(H,15,18).

What are the key properties of 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N',N'-dimethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbohydrazide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;6-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?

4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N',N'-dimethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbohydrazide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;6-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 1998.90 g/mol, XLogP of 15.59, 20 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N',N'-dimethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbohydrazide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;6-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N-methyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 159043596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).