2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide

C142H131F24N31O12S2 — CID 158343774

About 2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide

2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 158343774) has the molecular formula C142H131F24N31O12S2 and a molecular weight of 2983.90 g/mol. Its IUPAC name is 2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
• PubChem CID: 158343774
• Molecular Formula: C142H131F24N31O12S2
• Molecular Weight: 2983.90 g/mol
• Exact Mass: 2981.97
• IUPAC Name: 2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
• SMILES: C.C.C.C.CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)c1.CS(=O)c1ncccc1C(=O)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1cccnc1NCCCCCO.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1cccnc1NCCN1CCOCC1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1cccnc1NCc1ccccc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)N1CCOCC1
• InChI: InChI=1S/C28H21F3N6O.C27H26F3N7O2.C26H25F3N6O2.C22H16F3N5O2S.C19H13F6N3O3S.C16H14F6N4O2.4CH4/c29-28(30,31)25-16-24(20-8-4-14-32-18-20)36-37(25)22-12-10-21(11-13-22)35-27(38)23-9-5-15-33-26(23)34-17-19-6-2-1-3-7-19;28-27(29,30)24-17-23(19-3-1-9-31-18-19)35-37(24)21-7-5-20(6-8-21)34-26(38)22-4-2-10-32-25(22)33-11-12-36-13-15-39-16-14-36;27-26(28,29)23-16-22(18-6-4-12-30-17-18)34-35(23)20-10-8-19(9-11-20)33-25(37)21-7-5-14-32-24(21)31-13-2-1-3-15-36;1-33(32)21-17(5-3-11-27-21)20(31)28-15-6-8-16(9-7-15)30-19(22(23,24)25)12-18(29-30)14-4-2-10-26-13-14;1-32(30,31)14-4-2-3-11(9-14)17(29)26-12-5-7-13(8-6-12)28-16(19(23,24)25)10-15(27-28)18(20,21)22;17-15(18,19)12-9-13(16(20,21)22)26(24-12)11-3-1-10(2-4-11)23-14(27)25-5-7-28-8-6-25;;;;/h1-16,18H,17H2,(H,33,34)(H,35,38);1-10,17-18H,11-16H2,(H,32,33)(H,34,38);4-12,14,16-17,36H,1-3,13,15H2,(H,31,32)(H,33,37);2-13H,1H3,(H,28,31);2-10H,1H3,(H,26,29);1-4,9H,5-8H2,(H,23,27);4*1H4
• InChIKey: GRLZVHDWGKIKRM-UHFFFAOYSA-N
• XLogP: 30.95
• TPSA: 517.11 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 36
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2983.90
LogP ≤ 5	30.95
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?

The IUPAC name of 2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide (CID 158343774) is 2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for 2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide is C.C.C.C.CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3C(F)(F)F)cc2)c1.CS(=O)c1ncccc1C(=O)Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1cccnc1NCCCCCO.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1cccnc1NCCN1CCOCC1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1cccnc1NCc1ccccc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)N1CCOCC1.

What is the InChIKey of 2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?

The InChIKey is GRLZVHDWGKIKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N6O.C27H26F3N7O2.C26H25F3N6O2.C22H16F3N5O2S.C19H13F6N3O3S.C16H14F6N4O2.4CH4/c29-28(30,31)25-16-24(20-8-4-14-32-18-20)36-37(25)22-12-10-21(11-13-22)35-27(38)23-9-5-15-33-26(23)34-17-19-6-2-1-3-7-19;28-27(29,30)24-17-23(19-3-1-9-31-18-19)35-37(24)21-7-5-20(6-8-21)34-26(38)22-4-2-10-32-25(22)33-11-12-36-13-15-39-16-14-36;27-26(28,29)23-16-22(18-6-4-12-30-17-18)34-35(23)20-10-8-19(9-11-20)33-25(37)21-7-5-14-32-24(21)31-13-2-1-3-15-36;1-33(32)21-17(5-3-11-27-21)20(31)28-15-6-8-16(9-7-15)30-19(22(23,24)25)12-18(29-30)14-4-2-10-26-13-14;1-32(30,31)14-4-2-3-11(9-14)17(29)26-12-5-7-13(8-6-12)28-16(19(23,24)25)10-15(27-28)18(20,21)22;17-15(18,19)12-9-13(16(20,21)22)26(24-12)11-3-1-10(2-4-11)23-14(27)25-5-7-28-8-6-25;;;;/h1-16,18H,17H2,(H,33,34)(H,35,38);1-10,17-18H,11-16H2,(H,32,33)(H,34,38);4-12,14,16-17,36H,1-3,13,15H2,(H,31,32)(H,33,37);2-13H,1H3,(H,28,31);2-10H,1H3,(H,26,29);1-4,9H,5-8H2,(H,23,27);4*1H4.

What are the key properties of 2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?

2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 2983.90 g/mol, XLogP of 30.95, 36 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-methylsulfonylbenzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide;2-(5-hydroxypentylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;methane;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide;2-(2-morpholin-4-ylethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 158343774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).