N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C103H104F18N24O6S3 — CID 159798628

About N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 159798628) has the molecular formula C103H104F18N24O6S3 and a molecular weight of 2212.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
• PubChem CID: 159798628
• Molecular Formula: C103H104F18N24O6S3
• Molecular Weight: 2212.29 g/mol
• Exact Mass: 2210.74
• IUPAC Name: N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
• SMILES: CN(C)C(=O)c1cc(-c2cc(C(F)(F)F)n(-c3ccccc3)n2)ccn1.CN(C)C(=O)c1cc(-c2cc(C(F)(F)F)nn2-c2ccccc2)ccn1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2Cc2ccccc2)n1.CN(C)C1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cn1nc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCN)s2)cc1C(F)(F)F
• InChI: InChI=1S/C19H23F3N4OS.C19H17F3N4O.2C18H15F3N4O.C17H21F3N4OS.C12H13F3N4OS/c1-24-17(19(20,21)22)12-14(23-24)15-4-5-16(28-15)18(27)26-10-6-13(7-11-26)25-8-2-3-9-25;1-25(2)18(27)15-10-6-9-14(23-15)16-11-17(19(20,21)22)24-26(16)12-13-7-4-3-5-8-13;1-24(2)17(26)15-10-12(8-9-22-15)14-11-16(18(19,20)21)25(23-14)13-6-4-3-5-7-13;1-24(2)17(26)14-10-12(8-9-22-14)15-11-16(18(19,20)21)23-25(15)13-6-4-3-5-7-13;1-22(2)11-6-8-24(9-7-11)16(25)14-5-4-13(26-14)12-10-15(17(18,19)20)23(3)21-12;1-19-10(12(13,14)15)6-7(18-19)8-2-3-9(21-8)11(20)17-5-4-16/h4-5,12-13H,2-3,6-11H2,1H3;3-11H,12H2,1-2H3;2*3-11H,1-2H3;4-5,10-11H,6-9H2,1-3H3;2-3,6H,4-5,16H2,1H3,(H,17,20)
• InChIKey: NJMMWTMGKVXNAT-UHFFFAOYSA-N
• XLogP: 20.08
• TPSA: 308.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2212.29
LogP ≤ 5	20.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?

The IUPAC name of N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 159798628) is N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

What is the SMILES notation for N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?

The canonical SMILES for N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is CN(C)C(=O)c1cc(-c2cc(C(F)(F)F)n(-c3ccccc3)n2)ccn1.CN(C)C(=O)c1cc(-c2cc(C(F)(F)F)nn2-c2ccccc2)ccn1.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)nn2Cc2ccccc2)n1.CN(C)C1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cn1nc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCN)s2)cc1C(F)(F)F.

What is the InChIKey of N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?

The InChIKey is NJMMWTMGKVXNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4OS.C19H17F3N4O.2C18H15F3N4O.C17H21F3N4OS.C12H13F3N4OS/c1-24-17(19(20,21)22)12-14(23-24)15-4-5-16(28-15)18(27)26-10-6-13(7-11-26)25-8-2-3-9-25;1-25(2)18(27)15-10-6-9-14(23-15)16-11-17(19(20,21)22)24-26(16)12-13-7-4-3-5-8-13;1-24(2)17(26)15-10-12(8-9-22-15)14-11-16(18(19,20)21)25(23-14)13-6-4-3-5-7-13;1-24(2)17(26)14-10-12(8-9-22-14)15-11-16(18(19,20)21)23-25(15)13-6-4-3-5-7-13;1-22(2)11-6-8-24(9-7-11)16(25)14-5-4-13(26-14)12-10-15(17(18,19)20)23(3)21-12;1-19-10(12(13,14)15)6-7(18-19)8-2-3-9(21-8)11(20)17-5-4-16/h4-5,12-13H,2-3,6-11H2,1H3;3-11H,12H2,1-2H3;2*3-11H,1-2H3;4-5,10-11H,6-9H2,1-3H3;2-3,6H,4-5,16H2,1H3,(H,17,20).

What are the key properties of N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?

N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 2212.29 g/mol, XLogP of 20.08, 20 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 159798628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).