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

C16H15N5 — CID 103703002

IUPAC4-[2-(4-methylpyrazol-1-yl)ethylamino]quinoline-3-carbonitrile
SMILESCc1cnn(CCNc2c(C#N)cnc3ccccc23)c1
InChIInChI=1S/C16H15N5/c1-12-9-20-21(11-12)7-6-18-16-13(8-17)10-19-15-5-3-2-4-14(15)16/h2-5,9-11H,6-7H2,1H3,(H,18,19)
InChIKeyDYSHXHOHHOWCLM-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.72
Rot. Bonds4

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

4-[2-(4-methylpyrazol-1-yl)ethylamino]quinoline-3-carbonitrile (PubChem CID 103703002) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-[2-(4-methylpyrazol-1-yl)ethylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(4-methylpyrazol-1-yl)ethylamino]quinoline-3-carbonitrile
PubChem CID103703002
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name4-[2-(4-methylpyrazol-1-yl)ethylamino]quinoline-3-carbonitrile
SMILESCc1cnn(CCNc2c(C#N)cnc3ccccc23)c1
InChIInChI=1S/C16H15N5/c1-12-9-20-21(11-12)7-6-18-16-13(8-17)10-19-15-5-3-2-4-14(15)16/h2-5,9-11H,6-7H2,1H3,(H,18,19)
InChIKeyDYSHXHOHHOWCLM-UHFFFAOYSA-N
XLogP2.72
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile
CID 61463091
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
4-[2-(1-methylpyrazol-4-yl)ethylamino]quinoline-3-carbonitrile
CID 80684252
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-(3-hydroxypropylamino)quinoline-3-carbonitrile
CID 43668972
4-(4-methylpentylamino)quinoline-3-carbonitrile
CID 61038828
N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylquinazolin-4-amine
CID 133281826
7-methyl-4-[3-(3-methylindazol-2-yl)propylamino]quinoline-3-carbonitrile
CID 91953537
4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile
CID 62846842
3-[(3-cyanoquinolin-4-yl)amino]propanamide
CID 43669033
4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile
CID 103744302
4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile
CID 104594174

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpyrazol-1-yl)ethylamino]quinoline-3-carbonitrile?
The IUPAC name of 4-[2-(4-methylpyrazol-1-yl)ethylamino]quinoline-3-carbonitrile (CID 103703002) is 4-[2-(4-methylpyrazol-1-yl)ethylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[2-(4-methylpyrazol-1-yl)ethylamino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[2-(4-methylpyrazol-1-yl)ethylamino]quinoline-3-carbonitrile is Cc1cnn(CCNc2c(C#N)cnc3ccccc23)c1.
What is the InChIKey of 4-[2-(4-methylpyrazol-1-yl)ethylamino]quinoline-3-carbonitrile?
The InChIKey is DYSHXHOHHOWCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-12-9-20-21(11-12)7-6-18-16-13(8-17)10-19-15-5-3-2-4-14(15)16/h2-5,9-11H,6-7H2,1H3,(H,18,19).
What are the key properties of 4-[2-(4-methylpyrazol-1-yl)ethylamino]quinoline-3-carbonitrile?
4-[2-(4-methylpyrazol-1-yl)ethylamino]quinoline-3-carbonitrile has a molecular weight of 277.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpyrazol-1-yl)ethylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 103703002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).