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

C19H16N6O — CID 90454849

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

7-oxo-6-propan-2-yl-5-(3-pyrazol-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454849) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 7-oxo-6-propan-2-yl-5-(3-pyrazol-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

• Compound Name: 7-oxo-6-propan-2-yl-5-(3-pyrazol-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
• PubChem CID: 90454849
• Molecular Formula: C19H16N6O
• Molecular Weight: 344.38 g/mol
• Exact Mass: 344.14
• IUPAC Name: 7-oxo-6-propan-2-yl-5-(3-pyrazol-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
• SMILES: CC(C)c1c(-c2cccc(-n3cccn3)c2)nc2c(C#N)c[nH]n2c1=O
• InChI: InChI=1S/C19H16N6O/c1-12(2)16-17(23-18-14(10-20)11-22-25(18)19(16)26)13-5-3-6-15(9-13)24-8-4-7-21-24/h3-9,11-12,22H,1-2H3
• InChIKey: CSFHQOWOQJRLTB-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 91.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.38
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-oxo-6-propan-2-yl-5-(3-pyrazol-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454849) is 7-oxo-6-propan-2-yl-5-(3-pyrazol-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

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

The canonical SMILES for 7-oxo-6-propan-2-yl-5-(3-pyrazol-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1c(-c2cccc(-n3cccn3)c2)nc2c(C#N)c[nH]n2c1=O.

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

The InChIKey is CSFHQOWOQJRLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-12(2)16-17(23-18-14(10-20)11-22-25(18)19(16)26)13-5-3-6-15(9-13)24-8-4-7-21-24/h3-9,11-12,22H,1-2H3.

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

7-oxo-6-propan-2-yl-5-(3-pyrazol-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 344.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-oxo-6-propan-2-yl-5-(3-pyrazol-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).