5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H19N5O2 — CID 136525893

IUPAC5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)NC3CCN(C(C)C)C3=O)c2n1
InChIInChI=1S/C15H19N5O2/c1-9(2)19-6-5-12(15(19)22)18-14(21)11-8-16-20-7-4-10(3)17-13(11)20/h4,7-9,12H,5-6H2,1-3H3,(H,18,21)
InChIKeyYPQIJKXOSUBGQU-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.78
Rot. Bonds3

About 5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136525893) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136525893
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)NC3CCN(C(C)C)C3=O)c2n1
InChIInChI=1S/C15H19N5O2/c1-9(2)19-6-5-12(15(19)22)18-14(21)11-8-16-20-7-4-10(3)17-13(11)20/h4,7-9,12H,5-6H2,1-3H3,(H,18,21)
InChIKeyYPQIJKXOSUBGQU-UHFFFAOYSA-N
XLogP0.78
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136525893) is 5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccn2ncc(C(=O)NC3CCN(C(C)C)C3=O)c2n1.
What is the InChIKey of 5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YPQIJKXOSUBGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9(2)19-6-5-12(15(19)22)18-14(21)11-8-16-20-7-4-10(3)17-13(11)20/h4,7-9,12H,5-6H2,1-3H3,(H,18,21).
What are the key properties of 5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136525893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).