5-(1-cyclopentylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C18H20N6O — CID 90454709

About 5-(1-cyclopentylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-(1-cyclopentylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454709) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-(1-cyclopentylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-(1-cyclopentylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
• PubChem CID: 90454709
• Molecular Formula: C18H20N6O
• Molecular Weight: 336.40 g/mol
• Exact Mass: 336.17
• IUPAC Name: 5-(1-cyclopentylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
• SMILES: CC(C)c1c(-c2cnn(C3CCCC3)c2)nc2c(C#N)c[nH]n2c1=O
• InChI: InChI=1S/C18H20N6O/c1-11(2)15-16(13-9-20-23(10-13)14-5-3-4-6-14)22-17-12(7-19)8-21-24(17)18(15)25/h8-11,14,21H,3-6H2,1-2H3
• InChIKey: FPEFZQQRYNQUGY-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 91.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.40
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopentylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?

The IUPAC name of 5-(1-cyclopentylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454709) is 5-(1-cyclopentylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

What is the SMILES notation for 5-(1-cyclopentylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?

The canonical SMILES for 5-(1-cyclopentylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1c(-c2cnn(C3CCCC3)c2)nc2c(C#N)c[nH]n2c1=O.

What is the InChIKey of 5-(1-cyclopentylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?

The InChIKey is FPEFZQQRYNQUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-11(2)15-16(13-9-20-23(10-13)14-5-3-4-6-14)22-17-12(7-19)8-21-24(17)18(15)25/h8-11,14,21H,3-6H2,1-2H3.

What are the key properties of 5-(1-cyclopentylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?

5-(1-cyclopentylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 336.40 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-cyclopentylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).