N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine

C20H30N4 — CID 56884251

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine
SMILESCCn1nc(C)c(CN(C)CC2Cc3ccccc3CN2C)c1C
InChIInChI=1S/C20H30N4/c1-6-24-16(3)20(15(2)21-24)14-22(4)13-19-11-17-9-7-8-10-18(17)12-23(19)5/h7-10,19H,6,11-14H2,1-5H3
InChIKeyYGFKIUGWVGVEOS-UHFFFAOYSA-N
MW326.49 g/mol
LogP3.01
Rot. Bonds5

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine (PubChem CID 56884251) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine
PubChem CID56884251
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine
SMILESCCn1nc(C)c(CN(C)CC2Cc3ccccc3CN2C)c1C
InChIInChI=1S/C20H30N4/c1-6-24-16(3)20(15(2)21-24)14-22(4)13-19-11-17-9-7-8-10-18(17)12-23(19)5/h7-10,19H,6,11-14H2,1-5H3
InChIKeyYGFKIUGWVGVEOS-UHFFFAOYSA-N
XLogP3.01
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine with MolForge

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Related Compounds

2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine
CID 90146772
3-ethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 22891660
2-[[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 134701216
ethane;(3R)-3-ethyl-2-methyl-3,4-dihydro-1H-isoquinoline;propane
CID 144927592
methyl 4-[[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]methyl]-1H-pyrazole-5-carboxylate
CID 95728208
[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methanol;molecular hydrogen
CID 177039068
5-(aminomethyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 137341025
(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanethiol
CID 20699474
2-[4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 131920847
(1S,2R)-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol
CID 100674335
3-ethoxy-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]propanamide
CID 70756048
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 25312003

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine (CID 56884251) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine is CCn1nc(C)c(CN(C)CC2Cc3ccccc3CN2C)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine?
The InChIKey is YGFKIUGWVGVEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-6-24-16(3)20(15(2)21-24)14-22(4)13-19-11-17-9-7-8-10-18(17)12-23(19)5/h7-10,19H,6,11-14H2,1-5H3.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine has a molecular weight of 326.49 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine is sourced from PubChem (CID 56884251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).