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

C70H68N12O9S — CID 159479733

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

5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide;3-(4-phenoxyphenyl)-1-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 159479733) has the molecular formula C70H68N12O9S and a molecular weight of 1253.46 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;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide;3-(4-phenoxyphenyl)-1-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methyl]pyrazole-4-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;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide;3-(4-phenoxyphenyl)-1-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methyl]pyrazole-4-carboxamide
• PubChem CID: 159479733
• Molecular Formula: C70H68N12O9S
• Molecular Weight: 1253.46 g/mol
• Exact Mass: 1252.50
• IUPAC Name: 5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide;3-(4-phenoxyphenyl)-1-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methyl]pyrazole-4-carboxamide
• SMILES: C=CC(=O)N1CC2(CC(n3nc(-c4ccc(Oc5ccccc5)cc4)c(C(N)=O)c3N)C2)C1.C=CC(=O)N1CCC[C@H]1Cn1cc(C(N)=O)c(-c2ccc(Oc3ccccc3)cc2)n1.C=CC(=O)NCCc1nc(-c2ccc(Oc3ccccc3)cc2)c(C(N)=O)s1
• InChI: InChI=1S/C25H25N5O3.C24H24N4O3.C21H19N3O3S/c1-2-20(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;1-2-22(29)28-14-6-7-18(28)15-27-16-21(24(25)30)23(26-27)17-10-12-20(13-11-17)31-19-8-4-3-5-9-19;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/h2-11,17H,1,12-15,26H2,(H2,27,32);2-5,8-13,16,18H,1,6-7,14-15H2,(H2,25,30);2-11H,1,12-13H2,(H2,22,26)(H,23,25)/t;18-;/m.0./s1
• InChIKey: LWVRBETWGSAGAG-USCSVXAZSA-N
• XLogP: 10.54
• TPSA: 301.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1253.46
LogP ≤ 5	10.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

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;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide;3-(4-phenoxyphenyl)-1-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methyl]pyrazole-4-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;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide;3-(4-phenoxyphenyl)-1-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methyl]pyrazole-4-carboxamide (CID 159479733) is 5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide;3-(4-phenoxyphenyl)-1-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methyl]pyrazole-4-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;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide;3-(4-phenoxyphenyl)-1-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methyl]pyrazole-4-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;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide;3-(4-phenoxyphenyl)-1-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methyl]pyrazole-4-carboxamide is C=CC(=O)N1CC2(CC(n3nc(-c4ccc(Oc5ccccc5)cc4)c(C(N)=O)c3N)C2)C1.C=CC(=O)N1CCC[C@H]1Cn1cc(C(N)=O)c(-c2ccc(Oc3ccccc3)cc2)n1.C=CC(=O)NCCc1nc(-c2ccc(Oc3ccccc3)cc2)c(C(N)=O)s1.

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;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide;3-(4-phenoxyphenyl)-1-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methyl]pyrazole-4-carboxamide?

The InChIKey is LWVRBETWGSAGAG-USCSVXAZSA-N. The full InChI is InChI=1S/C25H25N5O3.C24H24N4O3.C21H19N3O3S/c1-2-20(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;1-2-22(29)28-14-6-7-18(28)15-27-16-21(24(25)30)23(26-27)17-10-12-20(13-11-17)31-19-8-4-3-5-9-19;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/h2-11,17H,1,12-15,26H2,(H2,27,32);2-5,8-13,16,18H,1,6-7,14-15H2,(H2,25,30);2-11H,1,12-13H2,(H2,22,26)(H,23,25)/t;18-;/m.0./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;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide;3-(4-phenoxyphenyl)-1-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methyl]pyrazole-4-carboxamide?

5-amino-3-(4-phenoxyphenyl)-1-(2-prop-2-enoyl-2-azaspiro[3.3]heptan-6-yl)pyrazole-4-carboxamide;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide;3-(4-phenoxyphenyl)-1-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 1253.46 g/mol, XLogP of 10.54, 21 rotatable bonds, 5 hydrogen bond donors, and 16 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;4-(4-phenoxyphenyl)-2-[2-(prop-2-enoylamino)ethyl]-1,3-thiazole-5-carboxamide;3-(4-phenoxyphenyl)-1-[[(2S)-1-prop-2-enoylpyrrolidin-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 159479733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).