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

C19H16N10 — CID 130339302

IUPAC3-(cyanomethyl)-3-[4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
SMILESCn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(C#N)C4)c3)n2)nn1
InChIInChI=1S/C19H16N10/c1-27-11-16(25-26-27)15-12-28-17(2-5-22-28)18(24-15)14-9-23-29(10-14)19(3-4-20)6-13(7-19)8-21/h2,5,9-13H,3,6-7H2,1H3
InChIKeyPUMVGUHHVKZTOZ-UHFFFAOYSA-N
MW384.41 g/mol
LogP1.93
Rot. Bonds4

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

3-(cyanomethyl)-3-[4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile (PubChem CID 130339302) has the molecular formula C19H16N10 and a molecular weight of 384.41 g/mol. Its IUPAC name is 3-(cyanomethyl)-3-[4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-(cyanomethyl)-3-[4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
PubChem CID130339302
Molecular FormulaC19H16N10
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name3-(cyanomethyl)-3-[4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
SMILESCn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(C#N)C4)c3)n2)nn1
InChIInChI=1S/C19H16N10/c1-27-11-16(25-26-27)15-12-28-17(2-5-22-28)18(24-15)14-9-23-29(10-14)19(3-4-20)6-13(7-19)8-21/h2,5,9-13H,3,6-7H2,1H3
InChIKeyPUMVGUHHVKZTOZ-UHFFFAOYSA-N
XLogP1.93
TPSA126.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)-3-[4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile?
The IUPAC name of 3-(cyanomethyl)-3-[4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile (CID 130339302) is 3-(cyanomethyl)-3-[4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-(cyanomethyl)-3-[4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile?
The canonical SMILES for 3-(cyanomethyl)-3-[4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile is Cn1cc(-c2cn3nccc3c(-c3cnn(C4(CC#N)CC(C#N)C4)c3)n2)nn1.
What is the InChIKey of 3-(cyanomethyl)-3-[4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile?
The InChIKey is PUMVGUHHVKZTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N10/c1-27-11-16(25-26-27)15-12-28-17(2-5-22-28)18(24-15)14-9-23-29(10-14)19(3-4-20)6-13(7-19)8-21/h2,5,9-13H,3,6-7H2,1H3.
What are the key properties of 3-(cyanomethyl)-3-[4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile?
3-(cyanomethyl)-3-[4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile has a molecular weight of 384.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethyl)-3-[4-[6-(1-methyltriazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 130339302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).