5-[(3-ethyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile

C17H12N4O — CID 25218423

IUPAC5-[(3-ethyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
SMILESCCc1[nH]nc2cccc(Oc3cc(C#N)cc(C#N)c3)c12
InChIInChI=1S/C17H12N4O/c1-2-14-17-15(21-20-14)4-3-5-16(17)22-13-7-11(9-18)6-12(8-13)10-19/h3-8H,2H2,1H3,(H,20,21)
InChIKeyGROQCVFQGPGUER-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.66
Rot. Bonds3

About 5-[(3-ethyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile

5-[(3-ethyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile (PubChem CID 25218423) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-[(3-ethyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[(3-ethyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
PubChem CID25218423
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name5-[(3-ethyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
SMILESCCc1[nH]nc2cccc(Oc3cc(C#N)cc(C#N)c3)c12
InChIInChI=1S/C17H12N4O/c1-2-14-17-15(21-20-14)4-3-5-16(17)22-13-7-11(9-18)6-12(8-13)10-19/h3-8H,2H2,1H3,(H,20,21)
InChIKeyGROQCVFQGPGUER-UHFFFAOYSA-N
XLogP3.66
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[(3-ethyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile (CID 25218423) is 5-[(3-ethyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[(3-ethyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[(3-ethyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile is CCc1[nH]nc2cccc(Oc3cc(C#N)cc(C#N)c3)c12.
What is the InChIKey of 5-[(3-ethyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile?
The InChIKey is GROQCVFQGPGUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c1-2-14-17-15(21-20-14)4-3-5-16(17)22-13-7-11(9-18)6-12(8-13)10-19/h3-8H,2H2,1H3,(H,20,21).
What are the key properties of 5-[(3-ethyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile?
5-[(3-ethyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile has a molecular weight of 288.31 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 25218423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).