5-[1-(ethylamino)ethenyl]-2-(3-methylindazol-1-yl)benzonitrile

C19H18N4 — CID 163814638

IUPAC5-[1-(ethylamino)ethenyl]-2-(3-methylindazol-1-yl)benzonitrile
SMILESC=C(NCC)c1ccc(-n2nc(C)c3ccccc32)c(C#N)c1
InChIInChI=1S/C19H18N4/c1-4-21-13(2)15-9-10-18(16(11-15)12-20)23-19-8-6-5-7-17(19)14(3)22-23/h5-11,21H,2,4H2,1,3H3
InChIKeyNQFRTKKTRCXKJZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.79
Rot. Bonds4

About 5-[1-(ethylamino)ethenyl]-2-(3-methylindazol-1-yl)benzonitrile

5-[1-(ethylamino)ethenyl]-2-(3-methylindazol-1-yl)benzonitrile (PubChem CID 163814638) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-[1-(ethylamino)ethenyl]-2-(3-methylindazol-1-yl)benzonitrile.

Molecular Properties

Compound Name5-[1-(ethylamino)ethenyl]-2-(3-methylindazol-1-yl)benzonitrile
PubChem CID163814638
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name5-[1-(ethylamino)ethenyl]-2-(3-methylindazol-1-yl)benzonitrile
SMILESC=C(NCC)c1ccc(-n2nc(C)c3ccccc32)c(C#N)c1
InChIInChI=1S/C19H18N4/c1-4-21-13(2)15-9-10-18(16(11-15)12-20)23-19-8-6-5-7-17(19)14(3)22-23/h5-11,21H,2,4H2,1,3H3
InChIKeyNQFRTKKTRCXKJZ-UHFFFAOYSA-N
XLogP3.79
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)ethenyl]-2-(3-methylindazol-1-yl)benzonitrile?
The IUPAC name of 5-[1-(ethylamino)ethenyl]-2-(3-methylindazol-1-yl)benzonitrile (CID 163814638) is 5-[1-(ethylamino)ethenyl]-2-(3-methylindazol-1-yl)benzonitrile.
What is the SMILES notation for 5-[1-(ethylamino)ethenyl]-2-(3-methylindazol-1-yl)benzonitrile?
The canonical SMILES for 5-[1-(ethylamino)ethenyl]-2-(3-methylindazol-1-yl)benzonitrile is C=C(NCC)c1ccc(-n2nc(C)c3ccccc32)c(C#N)c1.
What is the InChIKey of 5-[1-(ethylamino)ethenyl]-2-(3-methylindazol-1-yl)benzonitrile?
The InChIKey is NQFRTKKTRCXKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-4-21-13(2)15-9-10-18(16(11-15)12-20)23-19-8-6-5-7-17(19)14(3)22-23/h5-11,21H,2,4H2,1,3H3.
What are the key properties of 5-[1-(ethylamino)ethenyl]-2-(3-methylindazol-1-yl)benzonitrile?
5-[1-(ethylamino)ethenyl]-2-(3-methylindazol-1-yl)benzonitrile has a molecular weight of 302.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)ethenyl]-2-(3-methylindazol-1-yl)benzonitrile is sourced from PubChem (CID 163814638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).