2-[2-(4-aminopyrazol-1-yl)ethylamino]quinoline-3-carbonitrile

C15H14N6 — CID 115320005

IUPAC2-[2-(4-aminopyrazol-1-yl)ethylamino]quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1NCCn1cc(N)cn1
InChIInChI=1S/C15H14N6/c16-8-12-7-11-3-1-2-4-14(11)20-15(12)18-5-6-21-10-13(17)9-19-21/h1-4,7,9-10H,5-6,17H2,(H,18,20)
InChIKeyOTIPYOPKJAWYRU-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.00
Rot. Bonds4

About 2-[2-(4-aminopyrazol-1-yl)ethylamino]quinoline-3-carbonitrile

2-[2-(4-aminopyrazol-1-yl)ethylamino]quinoline-3-carbonitrile (PubChem CID 115320005) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-[2-(4-aminopyrazol-1-yl)ethylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-aminopyrazol-1-yl)ethylamino]quinoline-3-carbonitrile
PubChem CID115320005
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name2-[2-(4-aminopyrazol-1-yl)ethylamino]quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1NCCn1cc(N)cn1
InChIInChI=1S/C15H14N6/c16-8-12-7-11-3-1-2-4-14(11)20-15(12)18-5-6-21-10-13(17)9-19-21/h1-4,7,9-10H,5-6,17H2,(H,18,20)
InChIKeyOTIPYOPKJAWYRU-UHFFFAOYSA-N
XLogP2.00
TPSA92.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminopyrazol-1-yl)ethylamino]quinoline-3-carbonitrile?
The IUPAC name of 2-[2-(4-aminopyrazol-1-yl)ethylamino]quinoline-3-carbonitrile (CID 115320005) is 2-[2-(4-aminopyrazol-1-yl)ethylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[2-(4-aminopyrazol-1-yl)ethylamino]quinoline-3-carbonitrile?
The canonical SMILES for 2-[2-(4-aminopyrazol-1-yl)ethylamino]quinoline-3-carbonitrile is N#Cc1cc2ccccc2nc1NCCn1cc(N)cn1.
What is the InChIKey of 2-[2-(4-aminopyrazol-1-yl)ethylamino]quinoline-3-carbonitrile?
The InChIKey is OTIPYOPKJAWYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c16-8-12-7-11-3-1-2-4-14(11)20-15(12)18-5-6-21-10-13(17)9-19-21/h1-4,7,9-10H,5-6,17H2,(H,18,20).
What are the key properties of 2-[2-(4-aminopyrazol-1-yl)ethylamino]quinoline-3-carbonitrile?
2-[2-(4-aminopyrazol-1-yl)ethylamino]quinoline-3-carbonitrile has a molecular weight of 278.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminopyrazol-1-yl)ethylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 115320005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).