4-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzonitrile

C11H10N4O — CID 104712741

IUPAC4-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzonitrile
SMILESCc1cc(Oc2cc(C#N)ccc2N)n[nH]1
InChIInChI=1S/C11H10N4O/c1-7-4-11(15-14-7)16-10-5-8(6-12)2-3-9(10)13/h2-5H,13H2,1H3,(H,14,15)
InChIKeyIGYAQLOQVRHRGR-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.96
Rot. Bonds2

About 4-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzonitrile

4-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzonitrile (PubChem CID 104712741) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzonitrile.

Molecular Properties

Compound Name4-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzonitrile
PubChem CID104712741
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name4-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzonitrile
SMILESCc1cc(Oc2cc(C#N)ccc2N)n[nH]1
InChIInChI=1S/C11H10N4O/c1-7-4-11(15-14-7)16-10-5-8(6-12)2-3-9(10)13/h2-5H,13H2,1H3,(H,14,15)
InChIKeyIGYAQLOQVRHRGR-UHFFFAOYSA-N
XLogP1.96
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzonitrile?
The IUPAC name of 4-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzonitrile (CID 104712741) is 4-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzonitrile.
What is the SMILES notation for 4-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzonitrile?
The canonical SMILES for 4-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzonitrile is Cc1cc(Oc2cc(C#N)ccc2N)n[nH]1.
What is the InChIKey of 4-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzonitrile?
The InChIKey is IGYAQLOQVRHRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-7-4-11(15-14-7)16-10-5-8(6-12)2-3-9(10)13/h2-5H,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzonitrile?
4-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzonitrile has a molecular weight of 214.23 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzonitrile is sourced from PubChem (CID 104712741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).