N-(4-tert-butylphenyl)-N-pentyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;4-(2,6-dipentoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(3H-furan-3-id-2-yl)pyrimidine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyrimidin-2-ylbenzenethiolate;2-pyrimidin-2-ylphenolate;2-pyrimidin-2-yl-4-(trifluoromethyl)benzenethiolate;2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate;2-[5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-3-yl]pyridine;2-(3H-thiophen-3-id-2-yl)pyrimidine

C142H120F19N25O5S4-10 — CID 160982623

About N-(4-tert-butylphenyl)-N-pentyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;4-(2,6-dipentoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(3H-furan-3-id-2-yl)pyrimidine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyrimidin-2-ylbenzenethiolate;2-pyrimidin-2-ylphenolate;2-pyrimidin-2-yl-4-(trifluoromethyl)benzenethiolate;2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate;2-[5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-3-yl]pyridine;2-(3H-thiophen-3-id-2-yl)pyrimidine

N-(4-tert-butylphenyl)-N-pentyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;4-(2,6-dipentoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(3H-furan-3-id-2-yl)pyrimidine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyrimidin-2-ylbenzenethiolate;2-pyrimidin-2-ylphenolate;2-pyrimidin-2-yl-4-(trifluoromethyl)benzenethiolate;2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate;2-[5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-3-yl]pyridine;2-(3H-thiophen-3-id-2-yl)pyrimidine (PubChem CID 160982623) has the molecular formula C142H120F19N25O5S4-10 and a molecular weight of 2745.92 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-pentyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;4-(2,6-dipentoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(3H-furan-3-id-2-yl)pyrimidine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyrimidin-2-ylbenzenethiolate;2-pyrimidin-2-ylphenolate;2-pyrimidin-2-yl-4-(trifluoromethyl)benzenethiolate;2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate;2-[5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-3-yl]pyridine;2-(3H-thiophen-3-id-2-yl)pyrimidine.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-N-pentyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;4-(2,6-dipentoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(3H-furan-3-id-2-yl)pyrimidine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyrimidin-2-ylbenzenethiolate;2-pyrimidin-2-ylphenolate;2-pyrimidin-2-yl-4-(trifluoromethyl)benzenethiolate;2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate;2-[5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-3-yl]pyridine;2-(3H-thiophen-3-id-2-yl)pyrimidine
• PubChem CID: 160982623
• Molecular Formula: C142H120F19N25O5S4-10
• Molecular Weight: 2745.92 g/mol
• Exact Mass: 2743.85
• IUPAC Name: N-(4-tert-butylphenyl)-N-pentyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;4-(2,6-dipentoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(3H-furan-3-id-2-yl)pyrimidine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyrimidin-2-ylbenzenethiolate;2-pyrimidin-2-ylphenolate;2-pyrimidin-2-yl-4-(trifluoromethyl)benzenethiolate;2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate;2-[5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-3-yl]pyridine;2-(3H-thiophen-3-id-2-yl)pyrimidine
• SMILES: CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCN(c1ccc(C(C)(C)C)cc1)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCOc1cccc(OCCCCC)c1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.FC(F)(F)c1ccc([S-])c(-c2ncccn2)c1.Fc1cc(-c2cc(-c3ccccn3)n[n-]2)c(F)c(F)c1F.[O-]c1ccc(C(F)(F)F)cc1-c1ncccn1.[O-]c1ccccc1-c1ncccn1.[S-]c1ccccc1-c1ncccn1.[c-]1ccoc1-c1ncccn1.[c-]1ccsc1-c1ncccn1
• InChI: InChI=1S/C25H29F3N3O2.C24H28F3N4.C21H21F3N3S.C14H6F4N3.C11H7F3N2O.C11H7F3N2S.C10H8N2O.C10H8N2S.C8H5N2O.C8H5N2S/c1-3-5-7-14-32-21-10-9-11-22(33-15-8-6-4-2)24(21)18-12-13-29-19(16-18)20-17-23(31-30-20)25(26,27)28;1-5-6-7-14-31(18-10-8-17(9-11-18)23(2,3)4)19-12-13-28-20(15-19)21-16-22(30-29-21)24(25,26)27;1-2-3-4-5-6-16-9-10-17(28-16)8-7-15-11-12-25-18(13-15)19-14-20(27-26-19)21(22,23)24;15-8-5-7(12(16)14(18)13(8)17)10-6-11(21-20-10)9-3-1-2-4-19-9;2*12-11(13,14)7-2-3-9(17)8(6-7)10-15-4-1-5-16-10;2*13-9-5-2-1-4-8(9)10-11-6-3-7-12-10;2*1-3-7(11-6-1)8-9-4-2-5-10-8/h9-13,16-17H,3-8,14-15H2,1-2H3;8-13,15-16H,5-7,14H2,1-4H3;7-14H,2-6H2,1H3;1-6H;2*1-6,17H;2*1-7,13H;2*1-2,4-6H/q4*-1;;;;;2*-1/p-4/b;;8-7+
• InChIKey: SZSCNAVHDAUJDH-JNMQHQGSSA-J
• XLogP: 35.58
• TPSA: 395.16 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 35
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2745.92
LogP ≤ 5	35.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-pentyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;4-(2,6-dipentoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(3H-furan-3-id-2-yl)pyrimidine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyrimidin-2-ylbenzenethiolate;2-pyrimidin-2-ylphenolate;2-pyrimidin-2-yl-4-(trifluoromethyl)benzenethiolate;2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate;2-[5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-3-yl]pyridine;2-(3H-thiophen-3-id-2-yl)pyrimidine?

The IUPAC name of N-(4-tert-butylphenyl)-N-pentyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;4-(2,6-dipentoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(3H-furan-3-id-2-yl)pyrimidine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyrimidin-2-ylbenzenethiolate;2-pyrimidin-2-ylphenolate;2-pyrimidin-2-yl-4-(trifluoromethyl)benzenethiolate;2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate;2-[5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-3-yl]pyridine;2-(3H-thiophen-3-id-2-yl)pyrimidine (CID 160982623) is N-(4-tert-butylphenyl)-N-pentyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;4-(2,6-dipentoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(3H-furan-3-id-2-yl)pyrimidine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyrimidin-2-ylbenzenethiolate;2-pyrimidin-2-ylphenolate;2-pyrimidin-2-yl-4-(trifluoromethyl)benzenethiolate;2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate;2-[5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-3-yl]pyridine;2-(3H-thiophen-3-id-2-yl)pyrimidine.

What is the SMILES notation for N-(4-tert-butylphenyl)-N-pentyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;4-(2,6-dipentoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(3H-furan-3-id-2-yl)pyrimidine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyrimidin-2-ylbenzenethiolate;2-pyrimidin-2-ylphenolate;2-pyrimidin-2-yl-4-(trifluoromethyl)benzenethiolate;2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate;2-[5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-3-yl]pyridine;2-(3H-thiophen-3-id-2-yl)pyrimidine?

The canonical SMILES for N-(4-tert-butylphenyl)-N-pentyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;4-(2,6-dipentoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(3H-furan-3-id-2-yl)pyrimidine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyrimidin-2-ylbenzenethiolate;2-pyrimidin-2-ylphenolate;2-pyrimidin-2-yl-4-(trifluoromethyl)benzenethiolate;2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate;2-[5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-3-yl]pyridine;2-(3H-thiophen-3-id-2-yl)pyrimidine is CCCCCCc1ccc(/C=C/c2ccnc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCN(c1ccc(C(C)(C)C)cc1)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCOc1cccc(OCCCCC)c1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.FC(F)(F)c1ccc([S-])c(-c2ncccn2)c1.Fc1cc(-c2cc(-c3ccccn3)n[n-]2)c(F)c(F)c1F.[O-]c1ccc(C(F)(F)F)cc1-c1ncccn1.[O-]c1ccccc1-c1ncccn1.[S-]c1ccccc1-c1ncccn1.[c-]1ccoc1-c1ncccn1.[c-]1ccsc1-c1ncccn1.

What is the InChIKey of N-(4-tert-butylphenyl)-N-pentyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;4-(2,6-dipentoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(3H-furan-3-id-2-yl)pyrimidine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyrimidin-2-ylbenzenethiolate;2-pyrimidin-2-ylphenolate;2-pyrimidin-2-yl-4-(trifluoromethyl)benzenethiolate;2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate;2-[5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-3-yl]pyridine;2-(3H-thiophen-3-id-2-yl)pyrimidine?

The InChIKey is SZSCNAVHDAUJDH-JNMQHQGSSA-J. The full InChI is InChI=1S/C25H29F3N3O2.C24H28F3N4.C21H21F3N3S.C14H6F4N3.C11H7F3N2O.C11H7F3N2S.C10H8N2O.C10H8N2S.C8H5N2O.C8H5N2S/c1-3-5-7-14-32-21-10-9-11-22(33-15-8-6-4-2)24(21)18-12-13-29-19(16-18)20-17-23(31-30-20)25(26,27)28;1-5-6-7-14-31(18-10-8-17(9-11-18)23(2,3)4)19-12-13-28-20(15-19)21-16-22(30-29-21)24(25,26)27;1-2-3-4-5-6-16-9-10-17(28-16)8-7-15-11-12-25-18(13-15)19-14-20(27-26-19)21(22,23)24;15-8-5-7(12(16)14(18)13(8)17)10-6-11(21-20-10)9-3-1-2-4-19-9;2*12-11(13,14)7-2-3-9(17)8(6-7)10-15-4-1-5-16-10;2*13-9-5-2-1-4-8(9)10-11-6-3-7-12-10;2*1-3-7(11-6-1)8-9-4-2-5-10-8/h9-13,16-17H,3-8,14-15H2,1-2H3;8-13,15-16H,5-7,14H2,1-4H3;7-14H,2-6H2,1H3;1-6H;2*1-6,17H;2*1-7,13H;2*1-2,4-6H/q4*-1;;;;;2*-1/p-4/b;;8-7+;;;;;;;.

What are the key properties of N-(4-tert-butylphenyl)-N-pentyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;4-(2,6-dipentoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(3H-furan-3-id-2-yl)pyrimidine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyrimidin-2-ylbenzenethiolate;2-pyrimidin-2-ylphenolate;2-pyrimidin-2-yl-4-(trifluoromethyl)benzenethiolate;2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate;2-[5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-3-yl]pyridine;2-(3H-thiophen-3-id-2-yl)pyrimidine?

N-(4-tert-butylphenyl)-N-pentyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;4-(2,6-dipentoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(3H-furan-3-id-2-yl)pyrimidine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyrimidin-2-ylbenzenethiolate;2-pyrimidin-2-ylphenolate;2-pyrimidin-2-yl-4-(trifluoromethyl)benzenethiolate;2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate;2-[5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-3-yl]pyridine;2-(3H-thiophen-3-id-2-yl)pyrimidine has a molecular weight of 2745.92 g/mol, XLogP of 35.58, 35 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-N-pentyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;4-(2,6-dipentoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(3H-furan-3-id-2-yl)pyrimidine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyrimidin-2-ylbenzenethiolate;2-pyrimidin-2-ylphenolate;2-pyrimidin-2-yl-4-(trifluoromethyl)benzenethiolate;2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate;2-[5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-3-yl]pyridine;2-(3H-thiophen-3-id-2-yl)pyrimidine is sourced from PubChem (CID 160982623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).