1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C17H20N4 — CID 105147431

IUPAC1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1CC(N)c1cncc2ccccc12
InChIInChI=1S/C17H20N4/c1-11-15(12(2)21(3)20-11)8-17(18)16-10-19-9-13-6-4-5-7-14(13)16/h4-7,9-10,17H,8,18H2,1-3H3
InChIKeyCVRMVLVJVXYVML-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.83
Rot. Bonds3

About 1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105147431) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105147431
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1CC(N)c1cncc2ccccc12
InChIInChI=1S/C17H20N4/c1-11-15(12(2)21(3)20-11)8-17(18)16-10-19-9-13-6-4-5-7-14(13)16/h4-7,9-10,17H,8,18H2,1-3H3
InChIKeyCVRMVLVJVXYVML-UHFFFAOYSA-N
XLogP2.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

isoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105147400
1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105094800
1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105155115
(2S)-2-amino-2-isoquinolin-4-ylethanol
CID 55262875
1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105185570
1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 103139051
1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105095428
2-ethylsulfanyl-1-isoquinolin-4-ylethanamine
CID 65128258
methyl 3-amino-3-isoquinolin-4-ylpropanoate
CID 104504325
1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105172407
1-isoquinolin-4-ylnonan-1-amine
CID 115856304
2-(3-bromophenyl)-1-isoquinolin-4-ylethanamine
CID 63939977

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105147431) is 1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(C)c1CC(N)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is CVRMVLVJVXYVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-11-15(12(2)21(3)20-11)8-17(18)16-10-19-9-13-6-4-5-7-14(13)16/h4-7,9-10,17H,8,18H2,1-3H3.
What are the key properties of 1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 280.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105147431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).