2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]quinoline-6-carbonitrile

C17H17N5 — CID 133444982

IUPAC2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]quinoline-6-carbonitrile
SMILESCCc1nn(C)cc1CNc1ccc2cc(C#N)ccc2n1
InChIInChI=1S/C17H17N5/c1-3-15-14(11-22(2)21-15)10-19-17-7-5-13-8-12(9-18)4-6-16(13)20-17/h4-8,11H,3,10H2,1-2H3,(H,19,20)
InChIKeyZYXZXUDPGGMBLL-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.01
Rot. Bonds4

About 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]quinoline-6-carbonitrile

2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]quinoline-6-carbonitrile (PubChem CID 133444982) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]quinoline-6-carbonitrile.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]quinoline-6-carbonitrile
PubChem CID133444982
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]quinoline-6-carbonitrile
SMILESCCc1nn(C)cc1CNc1ccc2cc(C#N)ccc2n1
InChIInChI=1S/C17H17N5/c1-3-15-14(11-22(2)21-15)10-19-17-7-5-13-8-12(9-18)4-6-16(13)20-17/h4-8,11H,3,10H2,1-2H3,(H,19,20)
InChIKeyZYXZXUDPGGMBLL-UHFFFAOYSA-N
XLogP3.01
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-2-amine
CID 133444784
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-nitrobenzonitrile
CID 115886953
2-[(2-methoxyphenyl)methylamino]quinoline-6-carbonitrile
CID 68577120
6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 112549981
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 112672293
2-[3-(ethylamino)propylamino]quinoline-6-carbonitrile
CID 142873933
2-(2-imidazol-1-ylethylamino)quinoline-6-carbonitrile
CID 75505975
5-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzonitrile
CID 112668216
methyl 3-[[(6-cyanoquinolin-2-yl)amino]methyl]-4-fluorobenzoate
CID 133449651
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-propoxypyridine-2,5-diamine
CID 115989138
2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]acetonitrile
CID 75499917
2-tert-butyl-4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 115991808

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]quinoline-6-carbonitrile?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]quinoline-6-carbonitrile (CID 133444982) is 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]quinoline-6-carbonitrile.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]quinoline-6-carbonitrile?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]quinoline-6-carbonitrile is CCc1nn(C)cc1CNc1ccc2cc(C#N)ccc2n1.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]quinoline-6-carbonitrile?
The InChIKey is ZYXZXUDPGGMBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-3-15-14(11-22(2)21-15)10-19-17-7-5-13-8-12(9-18)4-6-16(13)20-17/h4-8,11H,3,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]quinoline-6-carbonitrile?
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]quinoline-6-carbonitrile has a molecular weight of 291.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]quinoline-6-carbonitrile is sourced from PubChem (CID 133444982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).