4-(2-pyrazol-1-ylethoxy)benzonitrile

C12H11N3O — CID 43289172

IUPAC4-(2-pyrazol-1-ylethoxy)benzonitrile
SMILESN#Cc1ccc(OCCn2cccn2)cc1
InChIInChI=1S/C12H11N3O/c13-10-11-2-4-12(5-3-11)16-9-8-15-7-1-6-14-15/h1-7H,8-9H2
InChIKeyOOWDNGAQGVQPOB-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.83
Rot. Bonds4

About 4-(2-pyrazol-1-ylethoxy)benzonitrile

4-(2-pyrazol-1-ylethoxy)benzonitrile (PubChem CID 43289172) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-(2-pyrazol-1-ylethoxy)benzonitrile.

Molecular Properties

Compound Name4-(2-pyrazol-1-ylethoxy)benzonitrile
PubChem CID43289172
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name4-(2-pyrazol-1-ylethoxy)benzonitrile
SMILESN#Cc1ccc(OCCn2cccn2)cc1
InChIInChI=1S/C12H11N3O/c13-10-11-2-4-12(5-3-11)16-9-8-15-7-1-6-14-15/h1-7H,8-9H2
InChIKeyOOWDNGAQGVQPOB-UHFFFAOYSA-N
XLogP1.83
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrazol-1-ylethoxy)benzonitrile?
The IUPAC name of 4-(2-pyrazol-1-ylethoxy)benzonitrile (CID 43289172) is 4-(2-pyrazol-1-ylethoxy)benzonitrile.
What is the SMILES notation for 4-(2-pyrazol-1-ylethoxy)benzonitrile?
The canonical SMILES for 4-(2-pyrazol-1-ylethoxy)benzonitrile is N#Cc1ccc(OCCn2cccn2)cc1.
What is the InChIKey of 4-(2-pyrazol-1-ylethoxy)benzonitrile?
The InChIKey is OOWDNGAQGVQPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-10-11-2-4-12(5-3-11)16-9-8-15-7-1-6-14-15/h1-7H,8-9H2.
What are the key properties of 4-(2-pyrazol-1-ylethoxy)benzonitrile?
4-(2-pyrazol-1-ylethoxy)benzonitrile has a molecular weight of 213.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrazol-1-ylethoxy)benzonitrile is sourced from PubChem (CID 43289172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).