N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;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;4-chloro-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;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide

C114H81Cl2F27N24O10S2 — CID 160833440

About N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;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;4-chloro-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;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide

N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;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;4-chloro-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;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 160833440) has the molecular formula C114H81Cl2F27N24O10S2 and a molecular weight of 2595.05 g/mol. Its IUPAC name is N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;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;4-chloro-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;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;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;4-chloro-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;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
• PubChem CID: 160833440
• Molecular Formula: C114H81Cl2F27N24O10S2
• Molecular Weight: 2595.05 g/mol
• Exact Mass: 2592.50
• IUPAC Name: N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;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;4-chloro-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;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
• SMILES: 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.Cc1cc(C(F)(F)F)n(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1.Nc1cc(-n2nc(C(F)(F)F)cc2C(F)(F)F)ccc1NC(=O)c1ccc(Cl)cc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccncc2)cc1)c1cccnc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)N1CCOCC1
• InChI: InChI=1S/C22H16F3N5O2S.C21H14F3N5O.C19H13F6N3O3S.C18H11ClF6N4O.C18H13ClF3N3O.C16H14F6N4O2/c1-33(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;22-21(23,24)19-12-18(14-7-10-25-11-8-14)29(28-19)17-5-3-16(4-6-17)27-20(30)15-2-1-9-26-13-15;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;19-10-3-1-9(2-4-10)16(30)27-13-6-5-11(7-12(13)26)29-15(18(23,24)25)8-14(28-29)17(20,21)22;1-11-10-16(18(20,21)22)25(24-11)15-8-6-14(7-9-15)23-17(26)12-2-4-13(19)5-3-12;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/h2-13H,1H3,(H,28,31);1-13H,(H,27,30);2-10H,1H3,(H,26,29);1-8H,26H2,(H,27,30);2-10H,1H3,(H,23,26);1-4,9H,5-8H2,(H,23,27)
• InChIKey: SHCJBUCLABQEBB-UHFFFAOYSA-N
• XLogP: 27.78
• TPSA: 422.78 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2595.05
LogP ≤ 5	27.78
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;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;4-chloro-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;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;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;4-chloro-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;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide (CID 160833440) is N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;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;4-chloro-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;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;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;4-chloro-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;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;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;4-chloro-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;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide is 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.Cc1cc(C(F)(F)F)n(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1.Nc1cc(-n2nc(C(F)(F)F)cc2C(F)(F)F)ccc1NC(=O)c1ccc(Cl)cc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccncc2)cc1)c1cccnc1.O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)N1CCOCC1.

What is the InChIKey of N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;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;4-chloro-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;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?

The InChIKey is SHCJBUCLABQEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2S.C21H14F3N5O.C19H13F6N3O3S.C18H11ClF6N4O.C18H13ClF3N3O.C16H14F6N4O2/c1-33(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;22-21(23,24)19-12-18(14-7-10-25-11-8-14)29(28-19)17-5-3-16(4-6-17)27-20(30)15-2-1-9-26-13-15;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;19-10-3-1-9(2-4-10)16(30)27-13-6-5-11(7-12(13)26)29-15(18(23,24)25)8-14(28-29)17(20,21)22;1-11-10-16(18(20,21)22)25(24-11)15-8-6-14(7-9-15)23-17(26)12-2-4-13(19)5-3-12;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/h2-13H,1H3,(H,28,31);1-13H,(H,27,30);2-10H,1H3,(H,26,29);1-8H,26H2,(H,27,30);2-10H,1H3,(H,23,26);1-4,9H,5-8H2,(H,23,27).

What are the key properties of N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;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;4-chloro-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;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide?

N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;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;4-chloro-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;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 2595.05 g/mol, XLogP of 27.78, 21 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide;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;4-chloro-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;N-[4-[5-pyridin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 160833440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).