N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine

C16H22N4 — CID 104557392

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine
SMILESCN(Cc1cnn(C)c1)Cc1cccc2c1CCNC2
InChIInChI=1S/C16H22N4/c1-19(10-13-8-18-20(2)11-13)12-15-5-3-4-14-9-17-7-6-16(14)15/h3-5,8,11,17H,6-7,9-10,12H2,1-2H3
InChIKeyMVCDOGLLLRRDND-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.70
Rot. Bonds4

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine (PubChem CID 104557392) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine
PubChem CID104557392
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine
SMILESCN(Cc1cnn(C)c1)Cc1cccc2c1CCNC2
InChIInChI=1S/C16H22N4/c1-19(10-13-8-18-20(2)11-13)12-15-5-3-4-14-9-17-7-6-16(14)15/h3-5,8,11,17H,6-7,9-10,12H2,1-2H3
InChIKeyMVCDOGLLLRRDND-UHFFFAOYSA-N
XLogP1.70
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine with MolForge

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Related Compounds

2-(1-methylpyrazol-4-yl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone
CID 116612581
1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine
CID 104557368
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 22196071
N-methyl-2-pyridin-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
CID 104557278
2-fluoro-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarbothioamide
CID 107115404
3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine
CID 61439662
N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
CID 75402177
1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 120851953
N-methyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-nitroaniline
CID 107351141
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 34898028

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine (CID 104557392) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine is CN(Cc1cnn(C)c1)Cc1cccc2c1CCNC2.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine?
The InChIKey is MVCDOGLLLRRDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-19(10-13-8-18-20(2)11-13)12-15-5-3-4-14-9-17-7-6-16(14)15/h3-5,8,11,17H,6-7,9-10,12H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine has a molecular weight of 270.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine is sourced from PubChem (CID 104557392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).