4-[[5-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzonitrile

C15H17N5O — CID 121305727

IUPAC4-[[5-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzonitrile
SMILESN#Cc1ccc(Oc2cn[nH]c2CN2CCNCC2)cc1
InChIInChI=1S/C15H17N5O/c16-9-12-1-3-13(4-2-12)21-15-10-18-19-14(15)11-20-7-5-17-6-8-20/h1-4,10,17H,5-8,11H2,(H,18,19)
InChIKeyUJNZHGWKGYEUFC-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.48
Rot. Bonds4

About 4-[[5-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzonitrile

4-[[5-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzonitrile (PubChem CID 121305727) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-[[5-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzonitrile.

Molecular Properties

Compound Name4-[[5-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzonitrile
PubChem CID121305727
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name4-[[5-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzonitrile
SMILESN#Cc1ccc(Oc2cn[nH]c2CN2CCNCC2)cc1
InChIInChI=1S/C15H17N5O/c16-9-12-1-3-13(4-2-12)21-15-10-18-19-14(15)11-20-7-5-17-6-8-20/h1-4,10,17H,5-8,11H2,(H,18,19)
InChIKeyUJNZHGWKGYEUFC-UHFFFAOYSA-N
XLogP1.48
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzonitrile?
The IUPAC name of 4-[[5-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzonitrile (CID 121305727) is 4-[[5-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzonitrile.
What is the SMILES notation for 4-[[5-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzonitrile?
The canonical SMILES for 4-[[5-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzonitrile is N#Cc1ccc(Oc2cn[nH]c2CN2CCNCC2)cc1.
What is the InChIKey of 4-[[5-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzonitrile?
The InChIKey is UJNZHGWKGYEUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-9-12-1-3-13(4-2-12)21-15-10-18-19-14(15)11-20-7-5-17-6-8-20/h1-4,10,17H,5-8,11H2,(H,18,19).
What are the key properties of 4-[[5-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzonitrile?
4-[[5-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzonitrile has a molecular weight of 283.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzonitrile is sourced from PubChem (CID 121305727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).