3-[1-[methyl-(1-methylpyrazol-3-yl)amino]ethyl]benzonitrile

C14H16N4 — CID 122133325

IUPAC3-[1-[methyl-(1-methylpyrazol-3-yl)amino]ethyl]benzonitrile
SMILESCC(c1cccc(C#N)c1)N(C)c1ccn(C)n1
InChIInChI=1S/C14H16N4/c1-11(13-6-4-5-12(9-13)10-15)18(3)14-7-8-17(2)16-14/h4-9,11H,1-3H3
InChIKeyOGOZKRPXSBDWGS-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.49
Rot. Bonds3

About 3-[1-[methyl-(1-methylpyrazol-3-yl)amino]ethyl]benzonitrile

3-[1-[methyl-(1-methylpyrazol-3-yl)amino]ethyl]benzonitrile (PubChem CID 122133325) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[1-[methyl-(1-methylpyrazol-3-yl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name3-[1-[methyl-(1-methylpyrazol-3-yl)amino]ethyl]benzonitrile
PubChem CID122133325
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-[1-[methyl-(1-methylpyrazol-3-yl)amino]ethyl]benzonitrile
SMILESCC(c1cccc(C#N)c1)N(C)c1ccn(C)n1
InChIInChI=1S/C14H16N4/c1-11(13-6-4-5-12(9-13)10-15)18(3)14-7-8-17(2)16-14/h4-9,11H,1-3H3
InChIKeyOGOZKRPXSBDWGS-UHFFFAOYSA-N
XLogP2.49
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[(1S)-1-amino-2-hydroxypropyl]benzonitrile
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4-[1-(3-aminophenyl)ethyl-methylamino]benzonitrile
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3-[(1S,2R)-1-amino-2-hydroxypropyl]benzonitrile;hydrochloride
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3-[hydroxy-(1-methylpyrazol-4-yl)methyl]benzonitrile
CID 115481066
3-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile
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3-(1-hydrazinylethyl)benzonitrile
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3-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-[1-[methyl-(1-methylpyrazol-3-yl)amino]ethyl]benzonitrile?
The IUPAC name of 3-[1-[methyl-(1-methylpyrazol-3-yl)amino]ethyl]benzonitrile (CID 122133325) is 3-[1-[methyl-(1-methylpyrazol-3-yl)amino]ethyl]benzonitrile.
What is the SMILES notation for 3-[1-[methyl-(1-methylpyrazol-3-yl)amino]ethyl]benzonitrile?
The canonical SMILES for 3-[1-[methyl-(1-methylpyrazol-3-yl)amino]ethyl]benzonitrile is CC(c1cccc(C#N)c1)N(C)c1ccn(C)n1.
What is the InChIKey of 3-[1-[methyl-(1-methylpyrazol-3-yl)amino]ethyl]benzonitrile?
The InChIKey is OGOZKRPXSBDWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-11(13-6-4-5-12(9-13)10-15)18(3)14-7-8-17(2)16-14/h4-9,11H,1-3H3.
What are the key properties of 3-[1-[methyl-(1-methylpyrazol-3-yl)amino]ethyl]benzonitrile?
3-[1-[methyl-(1-methylpyrazol-3-yl)amino]ethyl]benzonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[methyl-(1-methylpyrazol-3-yl)amino]ethyl]benzonitrile is sourced from PubChem (CID 122133325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).