5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;1-[[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-2-yl]methyl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide

C73H75N13O9S — CID 158269454

About 5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;1-[[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-2-yl]methyl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide

5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;1-[[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-2-yl]methyl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 158269454) has the molecular formula C73H75N13O9S and a molecular weight of 1310.55 g/mol. Its IUPAC name is 5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;1-[[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-2-yl]methyl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;1-[[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-2-yl]methyl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 158269454
• Molecular Formula: C73H75N13O9S
• Molecular Weight: 1310.55 g/mol
• Exact Mass: 1309.55
• IUPAC Name: 5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;1-[[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-2-yl]methyl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide
• SMILES: C=CC(=O)N1CC2(CC(n3nc(-c4ccc(Oc5ccccc5)cc4)c(C(N)=O)c3N)C2)C1.C=CC(=O)NCCc1nc(-c2ccc(Oc3ccccc3)cc2)c(C(N)=O)s1.CN(C)C/C=C/C(=O)N1CCC[C@H]1Cn1cc(C(N)=O)c(-c2ccc(Oc3ccccc3)cc2)n1
• InChI: InChI=1S/C27H31N5O3.C25H25N5O3.C21H19N3O3S/c1-30(2)16-7-11-25(33)32-17-6-8-21(32)18-31-19-24(27(28)34)26(29-31)20-12-14-23(15-13-20)35-22-9-4-3-5-10-22;1-2-20(31)29-14-25(15-29)12-17(13-25)30-23(26)21(24(27)32)22(28-30)16-8-10-19(11-9-16)33-18-6-4-3-5-7-18;1-2-17(25)23-13-12-18-24-19(20(28-18)21(22)26)14-8-10-16(11-9-14)27-15-6-4-3-5-7-15/h3-5,7,9-15,19,21H,6,8,16-18H2,1-2H3,(H2,28,34);2-11,17H,1,12-15,26H2,(H2,27,32);2-11H,1,12-13H2,(H2,22,26)(H,23,25)/b11-7+;;/t21-;;/m0../s1
• InChIKey: GIVPQJCIXJKBEA-GSYKNMFFSA-N
• XLogP: 10.47
• TPSA: 304.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1310.55
LogP ≤ 5	10.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;1-[[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-2-yl]methyl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;1-[[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-2-yl]methyl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 158269454) is 5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;1-[[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-2-yl]methyl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;1-[[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-2-yl]methyl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;1-[[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-2-yl]methyl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide is C=CC(=O)N1CC2(CC(n3nc(-c4ccc(Oc5ccccc5)cc4)c(C(N)=O)c3N)C2)C1.C=CC(=O)NCCc1nc(-c2ccc(Oc3ccccc3)cc2)c(C(N)=O)s1.CN(C)C/C=C/C(=O)N1CCC[C@H]1Cn1cc(C(N)=O)c(-c2ccc(Oc3ccccc3)cc2)n1.

What is the InChIKey of 5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;1-[[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-2-yl]methyl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide?

The InChIKey is GIVPQJCIXJKBEA-GSYKNMFFSA-N. The full InChI is InChI=1S/C27H31N5O3.C25H25N5O3.C21H19N3O3S/c1-30(2)16-7-11-25(33)32-17-6-8-21(32)18-31-19-24(27(28)34)26(29-31)20-12-14-23(15-13-20)35-22-9-4-3-5-10-22;1-2-20(31)29-14-25(15-29)12-17(13-25)30-23(26)21(24(27)32)22(28-30)16-8-10-19(11-9-16)33-18-6-4-3-5-7-18;1-2-17(25)23-13-12-18-24-19(20(28-18)21(22)26)14-8-10-16(11-9-14)27-15-6-4-3-5-7-15/h3-5,7,9-15,19,21H,6,8,16-18H2,1-2H3,(H2,28,34);2-11,17H,1,12-15,26H2,(H2,27,32);2-11H,1,12-13H2,(H2,22,26)(H,23,25)/b11-7+;;/t21-;;/m0../s1.

What are the key properties of 5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;1-[[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-2-yl]methyl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide?

5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;1-[[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-2-yl]methyl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 1310.55 g/mol, XLogP of 10.47, 23 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;1-[[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-2-yl]methyl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158269454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).