[5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

C15H19ClN4 — CID 82584140

IUPAC[5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCN1CC(c2cnn(C)c2)c2c(Cl)cccc2C1CN
InChIInChI=1S/C15H19ClN4/c1-19-9-12(10-7-18-20(2)8-10)15-11(14(19)6-17)4-3-5-13(15)16/h3-5,7-8,12,14H,6,9,17H2,1-2H3
InChIKeySNGVSZHJSHWCFN-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.15
Rot. Bonds2

About [5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

[5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (PubChem CID 82584140) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is [5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
PubChem CID82584140
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name[5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCN1CC(c2cnn(C)c2)c2c(Cl)cccc2C1CN
InChIInChI=1S/C15H19ClN4/c1-19-9-12(10-7-18-20(2)8-10)15-11(14(19)6-17)4-3-5-13(15)16/h3-5,7-8,12,14H,6,9,17H2,1-2H3
InChIKeySNGVSZHJSHWCFN-UHFFFAOYSA-N
XLogP2.15
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[5-chloro-4-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584160
[2,3-dimethyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584078
2-(2,6-dichlorophenyl)sulfonyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline
CID 121198681
(8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 82394731
[7-tert-butyl-4-(3-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584026
[2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82583894
[2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584768
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol
CID 117354250
[5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117425636
1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438741
(5-bromo-2-chlorophenyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 121198416
3-[1-(aminomethyl)-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl]benzoic acid
CID 82583980

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The IUPAC name of [5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (CID 82584140) is [5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.
What is the SMILES notation for [5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The canonical SMILES for [5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is CN1CC(c2cnn(C)c2)c2c(Cl)cccc2C1CN.
What is the InChIKey of [5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The InChIKey is SNGVSZHJSHWCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-19-9-12(10-7-18-20(2)8-10)15-11(14(19)6-17)4-3-5-13(15)16/h3-5,7-8,12,14H,6,9,17H2,1-2H3.
What are the key properties of [5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
[5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine has a molecular weight of 290.80 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is sourced from PubChem (CID 82584140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).