2-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile

C14H15N5 — CID 175746636

IUPAC2-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile
SMILESN#Cc1ccccc1-n1ccc(N2CCNCC2)n1
InChIInChI=1S/C14H15N5/c15-11-12-3-1-2-4-13(12)19-8-5-14(17-19)18-9-6-16-7-10-18/h1-5,8,16H,6-7,9-10H2
InChIKeyZOJSIQCYTYQGLV-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.15
Rot. Bonds2

About 2-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile

2-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile (PubChem CID 175746636) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile.

Molecular Properties

Compound Name2-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile
PubChem CID175746636
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile
SMILESN#Cc1ccccc1-n1ccc(N2CCNCC2)n1
InChIInChI=1S/C14H15N5/c15-11-12-3-1-2-4-13(12)19-8-5-14(17-19)18-9-6-16-7-10-18/h1-5,8,16H,6-7,9-10H2
InChIKeyZOJSIQCYTYQGLV-UHFFFAOYSA-N
XLogP1.15
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile?
The IUPAC name of 2-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile (CID 175746636) is 2-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile.
What is the SMILES notation for 2-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile?
The canonical SMILES for 2-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile is N#Cc1ccccc1-n1ccc(N2CCNCC2)n1.
What is the InChIKey of 2-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile?
The InChIKey is ZOJSIQCYTYQGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c15-11-12-3-1-2-4-13(12)19-8-5-14(17-19)18-9-6-16-7-10-18/h1-5,8,16H,6-7,9-10H2.
What are the key properties of 2-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile?
2-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile has a molecular weight of 253.31 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile is sourced from PubChem (CID 175746636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).