7-oxo-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C20H19N5O2 — CID 78426836

About 7-oxo-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-oxo-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 78426836) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 7-oxo-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

• Compound Name: 7-oxo-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
• PubChem CID: 78426836
• Molecular Formula: C20H19N5O2
• Molecular Weight: 361.41 g/mol
• Exact Mass: 361.15
• IUPAC Name: 7-oxo-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
• SMILES: CC(C)c1c(-c2cccc(N3CCCC3=O)c2)nc2c(C#N)c[nH]n2c1=O
• InChI: InChI=1S/C20H19N5O2/c1-12(2)17-18(23-19-14(10-21)11-22-25(19)20(17)27)13-5-3-6-15(9-13)24-8-4-7-16(24)26/h3,5-6,9,11-12,22H,4,7-8H2,1-2H3
• InChIKey: OESOWZQNXIUVMG-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 94.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.41
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-oxo-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?

The IUPAC name of 7-oxo-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 78426836) is 7-oxo-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

What is the SMILES notation for 7-oxo-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?

The canonical SMILES for 7-oxo-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1c(-c2cccc(N3CCCC3=O)c2)nc2c(C#N)c[nH]n2c1=O.

What is the InChIKey of 7-oxo-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?

The InChIKey is OESOWZQNXIUVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12(2)17-18(23-19-14(10-21)11-22-25(19)20(17)27)13-5-3-6-15(9-13)24-8-4-7-16(24)26/h3,5-6,9,11-12,22H,4,7-8H2,1-2H3.

What are the key properties of 7-oxo-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?

7-oxo-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 361.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-oxo-5-[3-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 78426836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).