4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile

C15H13N5 — CID 61463091

IUPAC4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1NCCn1cccn1
InChIInChI=1S/C15H13N5/c16-10-12-11-18-14-5-2-1-4-13(14)15(12)17-7-9-20-8-3-6-19-20/h1-6,8,11H,7,9H2,(H,17,18)
InChIKeyJIGXAXLRSHQATM-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.42
Rot. Bonds4

About 4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile

4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile (PubChem CID 61463091) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile
PubChem CID61463091
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1NCCn1cccn1
InChIInChI=1S/C15H13N5/c16-10-12-11-18-14-5-2-1-4-13(14)15(12)17-7-9-20-8-3-6-19-20/h1-6,8,11H,7,9H2,(H,17,18)
InChIKeyJIGXAXLRSHQATM-UHFFFAOYSA-N
XLogP2.42
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-methylpyrazol-1-yl)ethylamino]quinoline-3-carbonitrile
CID 103703002
4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine
CID 103963005
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
6-(difluoromethoxy)-4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile
CID 133294101
4-(3-hydroxypropylamino)quinoline-3-carbonitrile
CID 43668972
4-[2-(1-methylpyrazol-4-yl)ethylamino]quinoline-3-carbonitrile
CID 80684252
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-(4-methylpentylamino)quinoline-3-carbonitrile
CID 61038828
3-[(3-cyanoquinolin-4-yl)amino]propanamide
CID 43669033
4-(2-prop-2-enylsulfanylethylamino)quinoline-3-carbonitrile
CID 103702802
4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile
CID 104594174
4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile
CID 103744302

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile?
The IUPAC name of 4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile (CID 61463091) is 4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1NCCn1cccn1.
What is the InChIKey of 4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile?
The InChIKey is JIGXAXLRSHQATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5/c16-10-12-11-18-14-5-2-1-4-13(14)15(12)17-7-9-20-8-3-6-19-20/h1-6,8,11H,7,9H2,(H,17,18).
What are the key properties of 4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile?
4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 61463091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).