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

C19H15N9 — CID 162644679

IUPAC3-(cyanomethyl)-3-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
SMILESN#CCC1(n2cc(-c3nc(-c4cn[nH]c4)cn4nccc34)cn2)CC(C#N)C1
InChIInChI=1S/C19H15N9/c20-3-2-19(5-13(6-19)7-21)28-11-15(10-25-28)18-17-1-4-24-27(17)12-16(26-18)14-8-22-23-9-14/h1,4,8-13H,2,5-6H2,(H,22,23)
InChIKeyHAOJZJBZTKOEDO-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.53
Rot. Bonds4

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

3-(cyanomethyl)-3-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile (PubChem CID 162644679) has the molecular formula C19H15N9 and a molecular weight of 369.39 g/mol. Its IUPAC name is 3-(cyanomethyl)-3-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-(cyanomethyl)-3-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
PubChem CID162644679
Molecular FormulaC19H15N9
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC Name3-(cyanomethyl)-3-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
SMILESN#CCC1(n2cc(-c3nc(-c4cn[nH]c4)cn4nccc34)cn2)CC(C#N)C1
InChIInChI=1S/C19H15N9/c20-3-2-19(5-13(6-19)7-21)28-11-15(10-25-28)18-17-1-4-24-27(17)12-16(26-18)14-8-22-23-9-14/h1,4,8-13H,2,5-6H2,(H,22,23)
InChIKeyHAOJZJBZTKOEDO-UHFFFAOYSA-N
XLogP2.53
TPSA124.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)-3-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile?
The IUPAC name of 3-(cyanomethyl)-3-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile (CID 162644679) is 3-(cyanomethyl)-3-[4-[6-(1H-pyrazol-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-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile?
The canonical SMILES for 3-(cyanomethyl)-3-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile is N#CCC1(n2cc(-c3nc(-c4cn[nH]c4)cn4nccc34)cn2)CC(C#N)C1.
What is the InChIKey of 3-(cyanomethyl)-3-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile?
The InChIKey is HAOJZJBZTKOEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N9/c20-3-2-19(5-13(6-19)7-21)28-11-15(10-25-28)18-17-1-4-24-27(17)12-16(26-18)14-8-22-23-9-14/h1,4,8-13H,2,5-6H2,(H,22,23).
What are the key properties of 3-(cyanomethyl)-3-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile?
3-(cyanomethyl)-3-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile has a molecular weight of 369.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethyl)-3-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 162644679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).