5-amino-1-(2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;tert-butyl 6-[5-amino-4-carbamoyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate;but-2-ynoic acid;methane

C79H92F9N21O8 — CID 160619473

About 5-amino-1-(2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;tert-butyl 6-[5-amino-4-carbamoyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate;but-2-ynoic acid;methane

5-amino-1-(2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;tert-butyl 6-[5-amino-4-carbamoyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate;but-2-ynoic acid;methane (PubChem CID 160619473) has the molecular formula C79H92F9N21O8 and a molecular weight of 1634.73 g/mol. Its IUPAC name is 5-amino-1-(2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;tert-butyl 6-[5-amino-4-carbamoyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate;but-2-ynoic acid;methane.

Molecular Properties

• Compound Name: 5-amino-1-(2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;tert-butyl 6-[5-amino-4-carbamoyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate;but-2-ynoic acid;methane
• PubChem CID: 160619473
• Molecular Formula: C79H92F9N21O8
• Molecular Weight: 1634.73 g/mol
• Exact Mass: 1633.73
• IUPAC Name: 5-amino-1-(2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;tert-butyl 6-[5-amino-4-carbamoyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate;but-2-ynoic acid;methane
• SMILES: C.C.C.CC#CC(=O)N1CC2(CC(n3nc(-c4cnn(Cc5cccc(C(F)(F)F)c5)c4)c(C(N)=O)c3N)C2)C1.CC#CC(=O)O.CC(C)(C)OC(=O)N1CC2(CC(n3nc(-c4cnn(Cc5cccc(C(F)(F)F)c5)c4)c(C(N)=O)c3N)C2)C1.NC(=O)c1c(-c2cnn(Cc3cccc(C(F)(F)F)c3)c2)nn(C2CC3(CNC3)C2)c1N
• InChI: InChI=1S/C26H30F3N7O3.C25H24F3N7O2.C21H22F3N7O.C4H4O2.3CH4/c1-24(2,3)39-23(38)34-13-25(14-34)8-18(9-25)36-21(30)19(22(31)37)20(33-36)16-10-32-35(12-16)11-15-5-4-6-17(7-15)26(27,28)29;1-2-4-19(36)33-13-24(14-33)8-18(9-24)35-22(29)20(23(30)37)21(32-35)16-10-31-34(12-16)11-15-5-3-6-17(7-15)25(26,27)28;22-21(23,24)14-3-1-2-12(4-14)8-30-9-13(7-28-30)17-16(19(26)32)18(25)31(29-17)15-5-20(6-15)10-27-11-20;1-2-3-4(5)6;;;/h4-7,10,12,18H,8-9,11,13-14,30H2,1-3H3,(H2,31,37);3,5-7,10,12,18H,8-9,11,13-14,29H2,1H3,(H2,30,37);1-4,7,9,15,27H,5-6,8,10-11,25H2,(H2,26,32);1H3,(H,5,6);3*1H4
• InChIKey: RGNCIOGFTLFDEN-UHFFFAOYSA-N
• XLogP: 11.17
• TPSA: 413.43 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1634.73
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;tert-butyl 6-[5-amino-4-carbamoyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate;but-2-ynoic acid;methane?

The IUPAC name of 5-amino-1-(2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;tert-butyl 6-[5-amino-4-carbamoyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate;but-2-ynoic acid;methane (CID 160619473) is 5-amino-1-(2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;tert-butyl 6-[5-amino-4-carbamoyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate;but-2-ynoic acid;methane.

What is the SMILES notation for 5-amino-1-(2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;tert-butyl 6-[5-amino-4-carbamoyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate;but-2-ynoic acid;methane?

The canonical SMILES for 5-amino-1-(2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;tert-butyl 6-[5-amino-4-carbamoyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate;but-2-ynoic acid;methane is C.C.C.CC#CC(=O)N1CC2(CC(n3nc(-c4cnn(Cc5cccc(C(F)(F)F)c5)c4)c(C(N)=O)c3N)C2)C1.CC#CC(=O)O.CC(C)(C)OC(=O)N1CC2(CC(n3nc(-c4cnn(Cc5cccc(C(F)(F)F)c5)c4)c(C(N)=O)c3N)C2)C1.NC(=O)c1c(-c2cnn(Cc3cccc(C(F)(F)F)c3)c2)nn(C2CC3(CNC3)C2)c1N.

What is the InChIKey of 5-amino-1-(2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;tert-butyl 6-[5-amino-4-carbamoyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate;but-2-ynoic acid;methane?

The InChIKey is RGNCIOGFTLFDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N7O3.C25H24F3N7O2.C21H22F3N7O.C4H4O2.3CH4/c1-24(2,3)39-23(38)34-13-25(14-34)8-18(9-25)36-21(30)19(22(31)37)20(33-36)16-10-32-35(12-16)11-15-5-4-6-17(7-15)26(27,28)29;1-2-4-19(36)33-13-24(14-33)8-18(9-24)35-22(29)20(23(30)37)21(32-35)16-10-31-34(12-16)11-15-5-3-6-17(7-15)25(26,27)28;22-21(23,24)14-3-1-2-12(4-14)8-30-9-13(7-28-30)17-16(19(26)32)18(25)31(29-17)15-5-20(6-15)10-27-11-20;1-2-3-4(5)6;;;/h4-7,10,12,18H,8-9,11,13-14,30H2,1-3H3,(H2,31,37);3,5-7,10,12,18H,8-9,11,13-14,29H2,1H3,(H2,30,37);1-4,7,9,15,27H,5-6,8,10-11,25H2,(H2,26,32);1H3,(H,5,6);3*1H4.

What are the key properties of 5-amino-1-(2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;tert-butyl 6-[5-amino-4-carbamoyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate;but-2-ynoic acid;methane?

5-amino-1-(2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;tert-butyl 6-[5-amino-4-carbamoyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate;but-2-ynoic acid;methane has a molecular weight of 1634.73 g/mol, XLogP of 11.17, 15 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-(2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide;tert-butyl 6-[5-amino-4-carbamoyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate;but-2-ynoic acid;methane is sourced from PubChem (CID 160619473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).