5-[[C-(2-aminoethenyl)-N-(2-hydroxyethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H22N8O2 — CID 165068282

About 5-[[C-(2-aminoethenyl)-N-(2-hydroxyethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[C-(2-aminoethenyl)-N-(2-hydroxyethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 165068282) has the molecular formula C16H22N8O2 and a molecular weight of 358.41 g/mol. Its IUPAC name is 5-[[C-(2-aminoethenyl)-N-(2-hydroxyethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[C-(2-aminoethenyl)-N-(2-hydroxyethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 165068282
• Molecular Formula: C16H22N8O2
• Molecular Weight: 358.41 g/mol
• Exact Mass: 358.19
• IUPAC Name: 5-[[C-(2-aminoethenyl)-N-(2-hydroxyethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(N/C(C=CN)=N/CCO)nc2c(C(=O)NC3CC3)cnn12
• InChI: InChI=1S/C16H22N8O2/c1-18-14-8-13(22-12(4-5-17)19-6-7-25)23-15-11(9-20-24(14)15)16(26)21-10-2-3-10/h4-5,8-10,18,25H,2-3,6-7,17H2,1H3,(H,21,26)(H,19,22,23)
• InChIKey: JVTRDSMNLYDMAB-UHFFFAOYSA-N
• XLogP: -0.06
• TPSA: 141.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.41
LogP ≤ 5	-0.06
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[C-(2-aminoethenyl)-N-(2-hydroxyethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[[C-(2-aminoethenyl)-N-(2-hydroxyethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 165068282) is 5-[[C-(2-aminoethenyl)-N-(2-hydroxyethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[[C-(2-aminoethenyl)-N-(2-hydroxyethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[[C-(2-aminoethenyl)-N-(2-hydroxyethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(N/C(C=CN)=N/CCO)nc2c(C(=O)NC3CC3)cnn12.

What is the InChIKey of 5-[[C-(2-aminoethenyl)-N-(2-hydroxyethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is JVTRDSMNLYDMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8O2/c1-18-14-8-13(22-12(4-5-17)19-6-7-25)23-15-11(9-20-24(14)15)16(26)21-10-2-3-10/h4-5,8-10,18,25H,2-3,6-7,17H2,1H3,(H,21,26)(H,19,22,23).

What are the key properties of 5-[[C-(2-aminoethenyl)-N-(2-hydroxyethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[[C-(2-aminoethenyl)-N-(2-hydroxyethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 358.41 g/mol, XLogP of -0.06, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[C-(2-aminoethenyl)-N-(2-hydroxyethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 165068282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).