2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]benzonitrile

C20H21N7 — CID 133284867

IUPAC2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]benzonitrile
SMILESCc1cc(C)n(-c2cncc(N3CCN(c4ccccc4C#N)CC3)n2)n1
InChIInChI=1S/C20H21N7/c1-15-11-16(2)27(24-15)20-14-22-13-19(23-20)26-9-7-25(8-10-26)18-6-4-3-5-17(18)12-21/h3-6,11,13-14H,7-10H2,1-2H3
InChIKeySTZIUYHAMZZHCH-UHFFFAOYSA-N
MW359.44 g/mol
LogP2.48
Rot. Bonds3

About 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]benzonitrile

2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]benzonitrile (PubChem CID 133284867) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]benzonitrile
PubChem CID133284867
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]benzonitrile
SMILESCc1cc(C)n(-c2cncc(N3CCN(c4ccccc4C#N)CC3)n2)n1
InChIInChI=1S/C20H21N7/c1-15-11-16(2)27(24-15)20-14-22-13-19(23-20)26-9-7-25(8-10-26)18-6-4-3-5-17(18)12-21/h3-6,11,13-14H,7-10H2,1-2H3
InChIKeySTZIUYHAMZZHCH-UHFFFAOYSA-N
XLogP2.48
TPSA73.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]benzonitrile?
The IUPAC name of 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]benzonitrile (CID 133284867) is 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]benzonitrile is Cc1cc(C)n(-c2cncc(N3CCN(c4ccccc4C#N)CC3)n2)n1.
What is the InChIKey of 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]benzonitrile?
The InChIKey is STZIUYHAMZZHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-15-11-16(2)27(24-15)20-14-22-13-19(23-20)26-9-7-25(8-10-26)18-6-4-3-5-17(18)12-21/h3-6,11,13-14H,7-10H2,1-2H3.
What are the key properties of 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]benzonitrile?
2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]benzonitrile has a molecular weight of 359.44 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 133284867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).