3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;oxalyl dichloride;3-phenylmethoxybenzoic acid;3-phenylmethoxybenzoyl chloride;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine

C117H87Cl3F12N20O13 — CID 158167807

About 3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;oxalyl dichloride;3-phenylmethoxybenzoic acid;3-phenylmethoxybenzoyl chloride;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine

3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;oxalyl dichloride;3-phenylmethoxybenzoic acid;3-phenylmethoxybenzoyl chloride;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine (PubChem CID 158167807) has the molecular formula C117H87Cl3F12N20O13 and a molecular weight of 2315.44 g/mol. Its IUPAC name is 3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;oxalyl dichloride;3-phenylmethoxybenzoic acid;3-phenylmethoxybenzoyl chloride;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: 3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;oxalyl dichloride;3-phenylmethoxybenzoic acid;3-phenylmethoxybenzoyl chloride;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
• PubChem CID: 158167807
• Molecular Formula: C117H87Cl3F12N20O13
• Molecular Weight: 2315.44 g/mol
• Exact Mass: 2312.56
• IUPAC Name: 3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;oxalyl dichloride;3-phenylmethoxybenzoic acid;3-phenylmethoxybenzoyl chloride;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
• SMILES: CCCOc1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nc2)c1.Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1.O=C(Cl)C(=O)Cl.O=C(Cl)c1cccc(OCc2ccccc2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccc(O)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccc(OCc2ccccc2)c1.O=C(O)c1cccc(OCc2ccccc2)c1
• InChI: InChI=1S/C28H20F3N5O2.C24H20F3N5O2.C21H14F3N5O2.C14H11ClO2.C14H10F3N5.C14H12O3.C2Cl2O2/c29-28(30,31)25-15-24(21-9-5-13-32-16-21)35-36(25)26-12-11-22(17-33-26)34-27(37)20-8-4-10-23(14-20)38-18-19-6-2-1-3-7-19;1-2-11-34-19-7-3-5-16(12-19)23(33)30-18-8-9-22(29-15-18)32-21(24(25,26)27)13-20(31-32)17-6-4-10-28-14-17;22-21(23,24)18-10-17(14-4-2-8-25-11-14)28-29(18)19-7-6-15(12-26-19)27-20(31)13-3-1-5-16(30)9-13;15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11;15-14(16,17)12-6-11(9-2-1-5-19-7-9)21-22(12)13-4-3-10(18)8-20-13;15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11;3-1(5)2(4)6/h1-17H,18H2,(H,34,37);3-10,12-15H,2,11H2,1H3,(H,30,33);1-12,30H,(H,27,31);1-9H,10H2;1-8H,18H2;1-9H,10H2,(H,15,16)
• InChIKey: FXBGOGANSLDQQR-UHFFFAOYSA-N
• XLogP: 25.93
• TPSA: 433.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2315.44
LogP ≤ 5	25.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;oxalyl dichloride;3-phenylmethoxybenzoic acid;3-phenylmethoxybenzoyl chloride;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine?

The IUPAC name of 3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;oxalyl dichloride;3-phenylmethoxybenzoic acid;3-phenylmethoxybenzoyl chloride;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine (CID 158167807) is 3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;oxalyl dichloride;3-phenylmethoxybenzoic acid;3-phenylmethoxybenzoyl chloride;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine.

What is the SMILES notation for 3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;oxalyl dichloride;3-phenylmethoxybenzoic acid;3-phenylmethoxybenzoyl chloride;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine?

The canonical SMILES for 3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;oxalyl dichloride;3-phenylmethoxybenzoic acid;3-phenylmethoxybenzoyl chloride;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine is CCCOc1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nc2)c1.Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1.O=C(Cl)C(=O)Cl.O=C(Cl)c1cccc(OCc2ccccc2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccc(O)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccc(OCc2ccccc2)c1.O=C(O)c1cccc(OCc2ccccc2)c1.

What is the InChIKey of 3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;oxalyl dichloride;3-phenylmethoxybenzoic acid;3-phenylmethoxybenzoyl chloride;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine?

The InChIKey is FXBGOGANSLDQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F3N5O2.C24H20F3N5O2.C21H14F3N5O2.C14H11ClO2.C14H10F3N5.C14H12O3.C2Cl2O2/c29-28(30,31)25-15-24(21-9-5-13-32-16-21)35-36(25)26-12-11-22(17-33-26)34-27(37)20-8-4-10-23(14-20)38-18-19-6-2-1-3-7-19;1-2-11-34-19-7-3-5-16(12-19)23(33)30-18-8-9-22(29-15-18)32-21(24(25,26)27)13-20(31-32)17-6-4-10-28-14-17;22-21(23,24)18-10-17(14-4-2-8-25-11-14)28-29(18)19-7-6-15(12-26-19)27-20(31)13-3-1-5-16(30)9-13;15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11;15-14(16,17)12-6-11(9-2-1-5-19-7-9)21-22(12)13-4-3-10(18)8-20-13;15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11;3-1(5)2(4)6/h1-17H,18H2,(H,34,37);3-10,12-15H,2,11H2,1H3,(H,30,33);1-12,30H,(H,27,31);1-9H,10H2;1-8H,18H2;1-9H,10H2,(H,15,16);.

What are the key properties of 3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;oxalyl dichloride;3-phenylmethoxybenzoic acid;3-phenylmethoxybenzoyl chloride;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine?

3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;oxalyl dichloride;3-phenylmethoxybenzoic acid;3-phenylmethoxybenzoyl chloride;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine has a molecular weight of 2315.44 g/mol, XLogP of 25.93, 29 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;oxalyl dichloride;3-phenylmethoxybenzoic acid;3-phenylmethoxybenzoyl chloride;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine is sourced from PubChem (CID 158167807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).