3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile

C21H20N10 — CID 155207321

About 3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile

3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile (PubChem CID 155207321) has the molecular formula C21H20N10 and a molecular weight of 412.46 g/mol. Its IUPAC name is 3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile.

Molecular Properties

• Compound Name: 3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile
• PubChem CID: 155207321
• Molecular Formula: C21H20N10
• Molecular Weight: 412.46 g/mol
• Exact Mass: 412.19
• IUPAC Name: 3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile
• SMILES: Cc1cnn2cc(-c3cnn(C)c3)nc(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)c12
• InChI: InChI=1S/C21H20N10/c1-13-8-26-30-12-17(15-9-25-29(2)10-15)27-18(19(13)30)16-11-31(28-20(16)24)21(3-4-22)5-14(6-21)7-23/h8-12,14H,3,5-6H2,1-2H3,(H2,24,28)
• InChIKey: IBAIALATJPSTKR-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 139.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.46
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?

The IUPAC name of 3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile (CID 155207321) is 3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile.

What is the SMILES notation for 3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?

The canonical SMILES for 3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile is Cc1cnn2cc(-c3cnn(C)c3)nc(-c3cn(C4(CC#N)CC(C#N)C4)nc3N)c12.

What is the InChIKey of 3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?

The InChIKey is IBAIALATJPSTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N10/c1-13-8-26-30-12-17(15-9-25-29(2)10-15)27-18(19(13)30)16-11-31(28-20(16)24)21(3-4-22)5-14(6-21)7-23/h8-12,14H,3,5-6H2,1-2H3,(H2,24,28).

What are the key properties of 3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile?

3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile has a molecular weight of 412.46 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-amino-4-[3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-3-(cyanomethyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 155207321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).