1-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazole-3-carbonitrile

C15H16N4 — CID 121385730

IUPAC1-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazole-3-carbonitrile
SMILESCN1CCCc2cc(-c3cn(C)nc3C#N)ccc21
InChIInChI=1S/C15H16N4/c1-18-7-3-4-12-8-11(5-6-15(12)18)13-10-19(2)17-14(13)9-16/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyCUQOXQREIFAHRC-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.34
Rot. Bonds1

About 1-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazole-3-carbonitrile

1-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazole-3-carbonitrile (PubChem CID 121385730) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazole-3-carbonitrile
PubChem CID121385730
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name1-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazole-3-carbonitrile
SMILESCN1CCCc2cc(-c3cn(C)nc3C#N)ccc21
InChIInChI=1S/C15H16N4/c1-18-7-3-4-12-8-11(5-6-15(12)18)13-10-19(2)17-14(13)9-16/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyCUQOXQREIFAHRC-UHFFFAOYSA-N
XLogP2.34
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile
CID 121385664
6-(1,3-dimethylpyrazol-4-yl)-1-methyl-3,4-dihydro-2H-quinoline-7-carbonitrile
CID 121373178
4-(4-fluorophenyl)-1-methylpyrazole-3-carbonitrile
CID 11665598
1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline
CID 121385714
(1-methyl-3,4-dihydro-2H-quinolin-6-yl) thiocyanate
CID 1079755
[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methanamine
CID 39226329
1-methyl-4-[1-[1-[(3S)-oxolan-3-yl]-4,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]pyrazole-3-carbonitrile
CID 121373657
6-(4-chloro-6-propan-2-ylpyrimidin-2-yl)-1-methyl-3,4-dihydro-2H-quinoline
CID 62096137
N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine
CID 147895995
acetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091659
methyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate
CID 115327986
hexane;1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline
CID 145091188

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazole-3-carbonitrile?
The IUPAC name of 1-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazole-3-carbonitrile (CID 121385730) is 1-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazole-3-carbonitrile.
What is the SMILES notation for 1-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazole-3-carbonitrile?
The canonical SMILES for 1-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazole-3-carbonitrile is CN1CCCc2cc(-c3cn(C)nc3C#N)ccc21.
What is the InChIKey of 1-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazole-3-carbonitrile?
The InChIKey is CUQOXQREIFAHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-18-7-3-4-12-8-11(5-6-15(12)18)13-10-19(2)17-14(13)9-16/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of 1-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazole-3-carbonitrile?
1-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazole-3-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazole-3-carbonitrile is sourced from PubChem (CID 121385730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).