N-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine

C17H20N4 — CID 103136936

IUPACN-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine
SMILESCCNC(c1cnn(C)c1C)c1cccc2ccncc12
InChIInChI=1S/C17H20N4/c1-4-19-17(15-11-20-21(3)12(15)2)14-7-5-6-13-8-9-18-10-16(13)14/h5-11,17,19H,4H2,1-3H3
InChIKeyACGOLQDVNQDKMS-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.98
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine

N-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine (PubChem CID 103136936) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine
PubChem CID103136936
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine
SMILESCCNC(c1cnn(C)c1C)c1cccc2ccncc12
InChIInChI=1S/C17H20N4/c1-4-19-17(15-11-20-21(3)12(15)2)14-7-5-6-13-8-9-18-10-16(13)14/h5-11,17,19H,4H2,1-3H3
InChIKeyACGOLQDVNQDKMS-UHFFFAOYSA-N
XLogP2.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136902
N-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105172840
4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine
CID 103140237
N-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine
CID 103136162
N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 105086489
N-[2,3-dihydro-1-benzofuran-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105189441
N-[(1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethyl]ethanamine
CID 102803545
(1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
CID 79584102
N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 105142484
N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105145779
N-[(3-bromothiophen-2-yl)-isoquinolin-8-ylmethyl]ethanamine
CID 103138016
N-ethyl-1-isoquinolin-8-yl-2-propylpentan-1-amine
CID 103138048

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine (CID 103136936) is N-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine is CCNC(c1cnn(C)c1C)c1cccc2ccncc12.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine?
The InChIKey is ACGOLQDVNQDKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-4-19-17(15-11-20-21(3)12(15)2)14-7-5-6-13-8-9-18-10-16(13)14/h5-11,17,19H,4H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine?
N-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine has a molecular weight of 280.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine is sourced from PubChem (CID 103136936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).