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

C16H22N4 — CID 82584078

IUPAC[2,3-dimethyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCC1C(c2cnn(C)c2)c2ccccc2C(CN)N1C
InChIInChI=1S/C16H22N4/c1-11-16(12-9-18-19(2)10-12)14-7-5-4-6-13(14)15(8-17)20(11)3/h4-7,9-11,15-16H,8,17H2,1-3H3
InChIKeyXDGWIFZPRWYUCD-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.89
Rot. Bonds2

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

[2,3-dimethyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (PubChem CID 82584078) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is [2,3-dimethyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.

Molecular Properties

Compound Name[2,3-dimethyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
PubChem CID82584078
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name[2,3-dimethyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCC1C(c2cnn(C)c2)c2ccccc2C(CN)N1C
InChIInChI=1S/C16H22N4/c1-11-16(12-9-18-19(2)10-12)14-7-5-4-6-13(14)15(8-17)20(11)3/h4-7,9-11,15-16H,8,17H2,1-3H3
InChIKeyXDGWIFZPRWYUCD-UHFFFAOYSA-N
XLogP1.89
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 82584074
[4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584082
(2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 82584838
[5-chloro-2-methyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584140
[4-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545386
[2-[(1-methylpyrazol-4-yl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine
CID 82544729
(2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 95241931
4-(2-butan-2-yl-3-methylcyclopropyl)-1-methylpyrazole
CID 166809103
3-(2-bromophenyl)-4-(1-methylpyrazol-4-yl)piperidine
CID 79455056
2,2-diethyl-3-(1-methylpyrazol-4-yl)cyclobutan-1-amine
CID 81415314
(3S,4S)-1-benzyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxylic acid
CID 124833087
1-(1-methylpyrazol-4-yl)-N'-(2-phenylcyclopropyl)ethane-1,2-diamine
CID 115291248

Frequently Asked Questions

What is the IUPAC name of [2,3-dimethyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The IUPAC name of [2,3-dimethyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (CID 82584078) is [2,3-dimethyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.
What is the SMILES notation for [2,3-dimethyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The canonical SMILES for [2,3-dimethyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is CC1C(c2cnn(C)c2)c2ccccc2C(CN)N1C.
What is the InChIKey of [2,3-dimethyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The InChIKey is XDGWIFZPRWYUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11-16(12-9-18-19(2)10-12)14-7-5-4-6-13(14)15(8-17)20(11)3/h4-7,9-11,15-16H,8,17H2,1-3H3.
What are the key properties of [2,3-dimethyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
[2,3-dimethyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dimethyl-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is sourced from PubChem (CID 82584078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).