5-amino-3-(1-benzylpyrazol-4-yl)-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-methyl-5-(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

C75H75F6N21O6 — CID 160831972

About 5-amino-3-(1-benzylpyrazol-4-yl)-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-methyl-5-(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

5-amino-3-(1-benzylpyrazol-4-yl)-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-methyl-5-(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 (PubChem CID 160831972) has the molecular formula C75H75F6N21O6 and a molecular weight of 1480.55 g/mol. Its IUPAC name is 5-amino-3-(1-benzylpyrazol-4-yl)-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-methyl-5-(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.

Molecular Properties

• Compound Name: 5-amino-3-(1-benzylpyrazol-4-yl)-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-methyl-5-(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
• PubChem CID: 160831972
• Molecular Formula: C75H75F6N21O6
• Molecular Weight: 1480.55 g/mol
• Exact Mass: 1479.61
• IUPAC Name: 5-amino-3-(1-benzylpyrazol-4-yl)-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-methyl-5-(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
• SMILES: CC#CC(=O)N1CC2(CC(n3nc(-c4cnn(Cc5cc(C)cc(C(F)(F)F)c5)c4)c(C(N)=O)c3N)C2)C1.CC#CC(=O)N1CC2(CC(n3nc(-c4cnn(Cc5cccc(C(F)(F)F)c5)c4)c(C(N)=O)c3N)C2)C1.CC#CC(=O)N1CC2(CC(n3nc(-c4cnn(Cc5ccccc5)c4)c(C(N)=O)c3N)C2)C1
• InChI: InChI=1S/C26H26F3N7O2.C25H24F3N7O2.C24H25N7O2/c1-3-4-20(37)34-13-25(14-34)8-19(9-25)36-23(30)21(24(31)38)22(33-36)17-10-32-35(12-17)11-16-5-15(2)6-18(7-16)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;1-2-6-19(32)29-14-24(15-29)9-18(10-24)31-22(25)20(23(26)33)21(28-31)17-11-27-30(13-17)12-16-7-4-3-5-8-16/h5-7,10,12,19H,8-9,11,13-14,30H2,1-2H3,(H2,31,38);3,5-7,10,12,18H,8-9,11,13-14,29H2,1H3,(H2,30,37);3-5,7-8,11,13,18H,9-10,12,14-15,25H2,1H3,(H2,26,33)
• InChIKey: SGXKSYREYCRBKP-UHFFFAOYSA-N
• XLogP: 7.33
• TPSA: 375.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1480.55
LogP ≤ 5	7.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(1-benzylpyrazol-4-yl)-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-methyl-5-(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?

The IUPAC name of 5-amino-3-(1-benzylpyrazol-4-yl)-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-methyl-5-(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 (CID 160831972) is 5-amino-3-(1-benzylpyrazol-4-yl)-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-methyl-5-(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.

What is the SMILES notation for 5-amino-3-(1-benzylpyrazol-4-yl)-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-methyl-5-(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?

The canonical SMILES for 5-amino-3-(1-benzylpyrazol-4-yl)-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-methyl-5-(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 is CC#CC(=O)N1CC2(CC(n3nc(-c4cnn(Cc5cc(C)cc(C(F)(F)F)c5)c4)c(C(N)=O)c3N)C2)C1.CC#CC(=O)N1CC2(CC(n3nc(-c4cnn(Cc5cccc(C(F)(F)F)c5)c4)c(C(N)=O)c3N)C2)C1.CC#CC(=O)N1CC2(CC(n3nc(-c4cnn(Cc5ccccc5)c4)c(C(N)=O)c3N)C2)C1.

What is the InChIKey of 5-amino-3-(1-benzylpyrazol-4-yl)-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-methyl-5-(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?

The InChIKey is SGXKSYREYCRBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N7O2.C25H24F3N7O2.C24H25N7O2/c1-3-4-20(37)34-13-25(14-34)8-19(9-25)36-23(30)21(24(31)38)22(33-36)17-10-32-35(12-17)11-16-5-15(2)6-18(7-16)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;1-2-6-19(32)29-14-24(15-29)9-18(10-24)31-22(25)20(23(26)33)21(28-31)17-11-27-30(13-17)12-16-7-4-3-5-8-16/h5-7,10,12,19H,8-9,11,13-14,30H2,1-2H3,(H2,31,38);3,5-7,10,12,18H,8-9,11,13-14,29H2,1H3,(H2,30,37);3-5,7-8,11,13,18H,9-10,12,14-15,25H2,1H3,(H2,26,33).

What are the key properties of 5-amino-3-(1-benzylpyrazol-4-yl)-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-methyl-5-(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?

5-amino-3-(1-benzylpyrazol-4-yl)-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-methyl-5-(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 has a molecular weight of 1480.55 g/mol, XLogP of 7.33, 15 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-(1-benzylpyrazol-4-yl)-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;5-amino-1-(2-but-2-ynoyl-2-azaspiro[3.3]heptan-6-yl)-3-[1-[[3-methyl-5-(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 is sourced from PubChem (CID 160831972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).