5-(1-methyl-5-oxopyrrolidin-3-yl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H17N5O3 — CID 46973398

About 5-(1-methyl-5-oxopyrrolidin-3-yl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(1-methyl-5-oxopyrrolidin-3-yl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46973398) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 5-(1-methyl-5-oxopyrrolidin-3-yl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(1-methyl-5-oxopyrrolidin-3-yl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 46973398
• Molecular Formula: C18H17N5O3
• Molecular Weight: 351.37 g/mol
• Exact Mass: 351.13
• IUPAC Name: 5-(1-methyl-5-oxopyrrolidin-3-yl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN1CC(c2cc(=O)n3[nH]cc(C(=O)Nc4ccccc4)c3n2)CC1=O
• InChI: InChI=1S/C18H17N5O3/c1-22-10-11(7-15(22)24)14-8-16(25)23-17(21-14)13(9-19-23)18(26)20-12-5-3-2-4-6-12/h2-6,8-9,11,19H,7,10H2,1H3,(H,20,26)
• InChIKey: NKTAPFUMZSXNCU-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 99.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.37
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-5-oxopyrrolidin-3-yl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-(1-methyl-5-oxopyrrolidin-3-yl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46973398) is 5-(1-methyl-5-oxopyrrolidin-3-yl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-(1-methyl-5-oxopyrrolidin-3-yl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-(1-methyl-5-oxopyrrolidin-3-yl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CC(c2cc(=O)n3[nH]cc(C(=O)Nc4ccccc4)c3n2)CC1=O.

What is the InChIKey of 5-(1-methyl-5-oxopyrrolidin-3-yl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is NKTAPFUMZSXNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-22-10-11(7-15(22)24)14-8-16(25)23-17(21-14)13(9-19-23)18(26)20-12-5-3-2-4-6-12/h2-6,8-9,11,19H,7,10H2,1H3,(H,20,26).

What are the key properties of 5-(1-methyl-5-oxopyrrolidin-3-yl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-(1-methyl-5-oxopyrrolidin-3-yl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-methyl-5-oxopyrrolidin-3-yl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46973398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).