N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C89H63F24N21OS2-8 — CID 159031461

About N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 159031461) has the molecular formula C89H63F24N21OS2-8 and a molecular weight of 1962.71 g/mol. Its IUPAC name is N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 159031461
• Molecular Formula: C89H63F24N21OS2-8
• Molecular Weight: 1962.71 g/mol
• Exact Mass: 1961.46
• IUPAC Name: N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: CC#Cc1ccc(/C=C/c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)o1.CC#Cc1ccc(/C=C/c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccc(/C=C/c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCc1cc(-c2cc(C(F)(F)F)n[n-]2)nc(-c2cc(C(F)(F)F)n[n-]2)c1N(C)C
• InChI: InChI=1S/C25H21F6N5S.C22H11F6N5O.C22H11F6N5S.C20H20F6N6/c1-2-3-4-5-6-16-9-10-17(37-16)8-7-15-11-18(20-13-22(35-33-20)24(26,27)28)32-19(12-15)21-14-23(36-34-21)25(29,30)31;2*1-2-3-13-6-7-14(34-13)5-4-12-8-15(17-10-19(32-30-17)21(23,24)25)29-16(9-12)18-11-20(33-31-18)22(26,27)28;1-4-5-6-7-11-8-12(13-9-15(30-28-13)19(21,22)23)27-17(18(11)32(2)3)14-10-16(31-29-14)20(24,25)26/h7-14H,2-6H2,1H3;2*4-11H,1H3;8-10H,4-7H2,1-3H3/q4*-2/b8-7+;2*5-4+
• InChIKey: JUYBOBFHVFNBHA-KTNUBXLMSA-N
• XLogP: 23.52
• TPSA: 283.86 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1962.71
LogP ≤ 5	23.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 159031461) is N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CC#Cc1ccc(/C=C/c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)o1.CC#Cc1ccc(/C=C/c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCCc1ccc(/C=C/c2cc(-c3cc(C(F)(F)F)n[n-]3)nc(-c3cc(C(F)(F)F)n[n-]3)c2)s1.CCCCCc1cc(-c2cc(C(F)(F)F)n[n-]2)nc(-c2cc(C(F)(F)F)n[n-]2)c1N(C)C.

What is the InChIKey of N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is JUYBOBFHVFNBHA-KTNUBXLMSA-N. The full InChI is InChI=1S/C25H21F6N5S.C22H11F6N5O.C22H11F6N5S.C20H20F6N6/c1-2-3-4-5-6-16-9-10-17(37-16)8-7-15-11-18(20-13-22(35-33-20)24(26,27)28)32-19(12-15)21-14-23(36-34-21)25(29,30)31;2*1-2-3-13-6-7-14(34-13)5-4-12-8-15(17-10-19(32-30-17)21(23,24)25)29-16(9-12)18-11-20(33-31-18)22(26,27)28;1-4-5-6-7-11-8-12(13-9-15(30-28-13)19(21,22)23)27-17(18(11)32(2)3)14-10-16(31-29-14)20(24,25)26/h7-14H,2-6H2,1H3;2*4-11H,1H3;8-10H,4-7H2,1-3H3/q4*-2/b8-7+;2*5-4+;.

What are the key properties of N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 1962.71 g/mol, XLogP of 23.52, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-pentyl-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-3-amine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylfuran-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[(E)-2-(5-prop-1-ynylthiophen-2-yl)ethenyl]-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 159031461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).