2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline

C15H19N3 — CID 103131685

IUPAC2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cc(Cc3ccn(C)n3)ccc2N1
InChIInChI=1S/C15H19N3/c1-11-3-5-13-9-12(4-6-15(13)16-11)10-14-7-8-18(2)17-14/h4,6-9,11,16H,3,5,10H2,1-2H3
InChIKeyLQKCNRRNYZIZHI-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.76
Rot. Bonds2

About 2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline

2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 103131685) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID103131685
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cc(Cc3ccn(C)n3)ccc2N1
InChIInChI=1S/C15H19N3/c1-11-3-5-13-9-12(4-6-15(13)16-11)10-14-7-8-18(2)17-14/h4,6-9,11,16H,3,5,10H2,1-2H3
InChIKeyLQKCNRRNYZIZHI-UHFFFAOYSA-N
XLogP2.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106779904
2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline
CID 105379469
6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106780140
6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 105379430
6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106882345
2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 13094330
6-[2-(2-methoxyphenyl)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 105379417
6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 12715494
1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole
CID 130787739
2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 103496417
3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol
CID 107383609
2-methyl-6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224090

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 103131685) is 2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline is CC1CCc2cc(Cc3ccn(C)n3)ccc2N1.
What is the InChIKey of 2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is LQKCNRRNYZIZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-3-5-13-9-12(4-6-15(13)16-11)10-14-7-8-18(2)17-14/h4,6-9,11,16H,3,5,10H2,1-2H3.
What are the key properties of 2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 241.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 103131685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).