N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide

C19H26N7O3+ — CID 171664847

About N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide

N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide (PubChem CID 171664847) has the molecular formula C19H26N7O3+ and a molecular weight of 400.46 g/mol. Its IUPAC name is N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide
• PubChem CID: 171664847
• Molecular Formula: C19H26N7O3+
• Molecular Weight: 400.46 g/mol
• Exact Mass: 400.21
• IUPAC Name: N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide
• SMILES: Cn1ccc(Nc2cc3n([nH]2)c(=O)c(C(=O)NC2CC2)c(O)[n+]3CC(C)(C)C)n1
• InChI: InChI=1S/C19H25N7O3/c1-19(2,3)10-25-14-9-13(21-12-7-8-24(4)22-12)23-26(14)18(29)15(17(25)28)16(27)20-11-5-6-11/h7-9,11H,5-6,10H2,1-4H3,(H3,20,21,22,23,27,28,29)/p+1
• InChIKey: FCNOYVWLEGGXJE-UHFFFAOYSA-O
• XLogP: 1.04
• TPSA: 120.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.46
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide?

The IUPAC name of N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide (CID 171664847) is N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide.

What is the SMILES notation for N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide?

The canonical SMILES for N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide is Cn1ccc(Nc2cc3n([nH]2)c(=O)c(C(=O)NC2CC2)c(O)[n+]3CC(C)(C)C)n1.

What is the InChIKey of N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide?

The InChIKey is FCNOYVWLEGGXJE-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25N7O3/c1-19(2,3)10-25-14-9-13(21-12-7-8-24(4)22-12)23-26(14)18(29)15(17(25)28)16(27)20-11-5-6-11/h7-9,11H,5-6,10H2,1-4H3,(H3,20,21,22,23,27,28,29)/p+1.

What are the key properties of N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide?

N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 1.04, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-(2,2-dimethylpropyl)-5-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-4-ium-6-carboxamide is sourced from PubChem (CID 171664847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).