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-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;methane;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide

C108H92F21N21O7S2 — CID 158812716

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-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;methane;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-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-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;methane;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 158812716) has the molecular formula C108H92F21N21O7S2 and a molecular weight of 2259.16 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-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;methane;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-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-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;methane;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
• PubChem CID: 158812716
• Molecular Formula: C108H92F21N21O7S2
• Molecular Weight: 2259.16 g/mol
• Exact Mass: 2257.66
• 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-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;methane;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
• SMILES: C.C.C=S(C)(=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.Cc1ccc(C(=O)Nc2ccc(-n3nc(C)cc3C(F)(F)F)cc2)cc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1cccnc1NCc1ccccc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)N1CCCCC1
• InChI: InChI=1S/C28H21F3N6O.C22H16F3N5O2S.C20H15F6N3O2S.C19H16F3N3O.C17H16F6N4O.2CH4/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;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(2,31)15-5-3-4-12(10-15)18(30)27-13-6-8-14(9-7-13)29-17(20(24,25)26)11-16(28-29)19(21,22)23;1-12-3-5-14(6-4-12)18(26)23-15-7-9-16(10-8-15)25-17(19(20,21)22)11-13(2)24-25;18-16(19,20)13-10-14(17(21,22)23)27(25-13)12-6-4-11(5-7-12)24-15(28)26-8-2-1-3-9-26;;/h1-16,18H,17H2,(H,33,34)(H,35,38);2-13H,1H3,(H,28,31);3-11H,1H2,2H3,(H,27,30);3-11H,1-2H3,(H,23,26);4-7,10H,1-3,8-9H2,(H,24,28);2*1H4
• InChIKey: IUWQXUWCXNZPQK-UHFFFAOYSA-N
• XLogP: 26.38
• TPSA: 335.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2259.16
LogP ≤ 5	26.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', '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-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;methane;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-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-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;methane;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide (CID 158812716) 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-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;methane;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-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-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;methane;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-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-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;methane;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide is C.C.C=S(C)(=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.Cc1ccc(C(=O)Nc2ccc(-n3nc(C)cc3C(F)(F)F)cc2)cc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1cccnc1NCc1ccccc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)N1CCCCC1.

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-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;methane;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?

The InChIKey is IUWQXUWCXNZPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N6O.C22H16F3N5O2S.C20H15F6N3O2S.C19H16F3N3O.C17H16F6N4O.2CH4/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;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(2,31)15-5-3-4-12(10-15)18(30)27-13-6-8-14(9-7-13)29-17(20(24,25)26)11-16(28-29)19(21,22)23;1-12-3-5-14(6-4-12)18(26)23-15-7-9-16(10-8-15)25-17(19(20,21)22)11-13(2)24-25;18-16(19,20)13-10-14(17(21,22)23)27(25-13)12-6-4-11(5-7-12)24-15(28)26-8-2-1-3-9-26;;/h1-16,18H,17H2,(H,33,34)(H,35,38);2-13H,1H3,(H,28,31);3-11H,1H2,2H3,(H,27,30);3-11H,1-2H3,(H,23,26);4-7,10H,1-3,8-9H2,(H,24,28);2*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-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;methane;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-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-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;methane;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 2259.16 g/mol, XLogP of 26.38, 21 rotatable bonds, 6 hydrogen bond donors, and 22 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-(methyl-methylidene-oxo-λ6-sulfanyl)benzamide;N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-1-carboxamide;methane;4-methyl-N-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide;2-methylsulfinyl-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 158812716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).