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

C22H22N10 — CID 155207446

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

3-(cyanomethyl)-3-[3-(dimethylamino)-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile (PubChem CID 155207446) has the molecular formula C22H22N10 and a molecular weight of 426.49 g/mol. Its IUPAC name is 3-(cyanomethyl)-3-[3-(dimethylamino)-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile.

Molecular Properties

• Compound Name: 3-(cyanomethyl)-3-[3-(dimethylamino)-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
• PubChem CID: 155207446
• Molecular Formula: C22H22N10
• Molecular Weight: 426.49 g/mol
• Exact Mass: 426.20
• IUPAC Name: 3-(cyanomethyl)-3-[3-(dimethylamino)-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
• SMILES: CN(C)c1nn(C2(CC#N)CC(C#N)C2)cc1-c1nc(-c2cnn(C)c2)cn2nccc12
• InChI: InChI=1S/C22H22N10/c1-29(2)21-17(13-32(28-21)22(5-6-23)8-15(9-22)10-24)20-19-4-7-25-31(19)14-18(27-20)16-11-26-30(3)12-16/h4,7,11-15H,5,8-9H2,1-3H3
• InChIKey: QXRSSWDWVCPRRK-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 116.65 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.49
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 3-(cyanomethyl)-3-[3-(dimethylamino)-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile (CID 155207446) is 3-(cyanomethyl)-3-[3-(dimethylamino)-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile.

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

The canonical SMILES for 3-(cyanomethyl)-3-[3-(dimethylamino)-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile is CN(C)c1nn(C2(CC#N)CC(C#N)C2)cc1-c1nc(-c2cnn(C)c2)cn2nccc12.

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

The InChIKey is QXRSSWDWVCPRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N10/c1-29(2)21-17(13-32(28-21)22(5-6-23)8-15(9-22)10-24)20-19-4-7-25-31(19)14-18(27-20)16-11-26-30(3)12-16/h4,7,11-15H,5,8-9H2,1-3H3.

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

3-(cyanomethyl)-3-[3-(dimethylamino)-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile has a molecular weight of 426.49 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyanomethyl)-3-[3-(dimethylamino)-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 155207446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).