tert-butyl N-[3-acetyl-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cyclopropanamine;N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(5-(3,5-dimethylanilino)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);iodide

C110H136IN28O15- — CID 157274682

About tert-butyl N-[3-acetyl-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cyclopropanamine;N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(5-(3,5-dimethylanilino)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);iodide

tert-butyl N-[3-acetyl-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cyclopropanamine;N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(5-(3,5-dimethylanilino)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);iodide (PubChem CID 157274682) has the molecular formula C110H136IN28O15- and a molecular weight of 2217.38 g/mol. Its IUPAC name is tert-butyl N-[3-acetyl-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cyclopropanamine;N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(5-(3,5-dimethylanilino)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);iodide.

Molecular Properties

• Compound Name: tert-butyl N-[3-acetyl-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cyclopropanamine;N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(5-(3,5-dimethylanilino)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);iodide
• PubChem CID: 157274682
• Molecular Formula: C110H136IN28O15-
• Molecular Weight: 2217.38 g/mol
• Exact Mass: 2215.98
• IUPAC Name: tert-butyl N-[3-acetyl-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cyclopropanamine;N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(5-(3,5-dimethylanilino)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);iodide
• SMILES: CC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cc(C)cc(C)c3)nc12.CNc1cc(Nc2cc(C)cc(C)c2)nc2c(C(=O)NC3CC3)cnn12.Cc1cc(C)cc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)NC4CC4)c3n2)c1.Cc1cc(C)cc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)O)c3n2)c1.Cc1cc(C)cc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)O)c3n2)c1.NC1CC1.[I-]
• InChI: InChI=1S/C24H30N6O3.C22H27N5O3.2C21H25N5O4.C19H22N6O.C3H7N.HI/c1-14-9-15(2)11-17(10-14)26-19-12-20(29(6)23(32)33-24(3,4)5)30-21(28-19)18(13-25-30)22(31)27-16-7-8-16;1-13-8-14(2)10-16(9-13)24-18-11-19(26(7)21(29)30-22(4,5)6)27-20(25-18)17(12-23-27)15(3)28;2*1-12-7-13(2)9-14(8-12)23-16-10-17(25(6)20(29)30-21(3,4)5)26-18(24-16)15(11-22-26)19(27)28;1-11-6-12(2)8-14(7-11)22-16-9-17(20-3)25-18(24-16)15(10-21-25)19(26)23-13-4-5-13;4-3-1-2-3;/h9-13,16H,7-8H2,1-6H3,(H,26,28)(H,27,31);8-12H,1-7H3,(H,24,25);2*7-11H,1-6H3,(H,23,24)(H,27,28);6-10,13,20H,4-5H2,1-3H3,(H,22,24)(H,23,26);3H,1-2,4H2;1H/p-1
• InChIKey: DVCZWSWIKNEKOD-UHFFFAOYSA-M
• XLogP: 17.47
• TPSA: 517.18 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2217.38
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-acetyl-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cyclopropanamine;N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(5-(3,5-dimethylanilino)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);iodide?

The IUPAC name of tert-butyl N-[3-acetyl-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cyclopropanamine;N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(5-(3,5-dimethylanilino)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);iodide (CID 157274682) is tert-butyl N-[3-acetyl-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cyclopropanamine;N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(5-(3,5-dimethylanilino)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);iodide.

What is the SMILES notation for tert-butyl N-[3-acetyl-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cyclopropanamine;N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(5-(3,5-dimethylanilino)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);iodide?

The canonical SMILES for tert-butyl N-[3-acetyl-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cyclopropanamine;N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(5-(3,5-dimethylanilino)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);iodide is CC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cc(C)cc(C)c3)nc12.CNc1cc(Nc2cc(C)cc(C)c2)nc2c(C(=O)NC3CC3)cnn12.Cc1cc(C)cc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)NC4CC4)c3n2)c1.Cc1cc(C)cc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)O)c3n2)c1.Cc1cc(C)cc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)O)c3n2)c1.NC1CC1.[I-].

What is the InChIKey of tert-butyl N-[3-acetyl-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cyclopropanamine;N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(5-(3,5-dimethylanilino)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);iodide?

The InChIKey is DVCZWSWIKNEKOD-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H30N6O3.C22H27N5O3.2C21H25N5O4.C19H22N6O.C3H7N.HI/c1-14-9-15(2)11-17(10-14)26-19-12-20(29(6)23(32)33-24(3,4)5)30-21(28-19)18(13-25-30)22(31)27-16-7-8-16;1-13-8-14(2)10-16(9-13)24-18-11-19(26(7)21(29)30-22(4,5)6)27-20(25-18)17(12-23-27)15(3)28;2*1-12-7-13(2)9-14(8-12)23-16-10-17(25(6)20(29)30-21(3,4)5)26-18(24-16)15(11-22-26)19(27)28;1-11-6-12(2)8-14(7-11)22-16-9-17(20-3)25-18(24-16)15(10-21-25)19(26)23-13-4-5-13;4-3-1-2-3;/h9-13,16H,7-8H2,1-6H3,(H,26,28)(H,27,31);8-12H,1-7H3,(H,24,25);2*7-11H,1-6H3,(H,23,24)(H,27,28);6-10,13,20H,4-5H2,1-3H3,(H,22,24)(H,23,26);3H,1-2,4H2;1H/p-1.

What are the key properties of tert-butyl N-[3-acetyl-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cyclopropanamine;N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(5-(3,5-dimethylanilino)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);iodide?

tert-butyl N-[3-acetyl-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cyclopropanamine;N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(5-(3,5-dimethylanilino)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);iodide has a molecular weight of 2217.38 g/mol, XLogP of 17.47, 22 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-acetyl-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-(3,5-dimethylanilino)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;cyclopropanamine;N-cyclopropyl-5-(3,5-dimethylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(5-(3,5-dimethylanilino)-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);iodide is sourced from PubChem (CID 157274682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).