1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine

C16H18N4 — CID 103136902

IUPAC1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine
SMILESCNC(c1cnn(C)c1C)c1cccc2ccncc12
InChIInChI=1S/C16H18N4/c1-11-14(10-19-20(11)3)16(17-2)13-6-4-5-12-7-8-18-9-15(12)13/h4-10,16-17H,1-3H3
InChIKeyXDBNVNHVDDPTTL-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.59
Rot. Bonds3

About 1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine

1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine (PubChem CID 103136902) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine
PubChem CID103136902
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine
SMILESCNC(c1cnn(C)c1C)c1cccc2ccncc12
InChIInChI=1S/C16H18N4/c1-11-14(10-19-20(11)3)16(17-2)13-6-4-5-12-7-8-18-9-15(12)13/h4-10,16-17H,1-3H3
InChIKeyXDBNVNHVDDPTTL-UHFFFAOYSA-N
XLogP2.59
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine
CID 103136936
1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
CID 103136230
4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine
CID 103140237
1-(2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136785
1-(3,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136233
1-(3-fluoro-5-methylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137533
1-(3-bromo-2-chlorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137538
(1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
CID 79584102
1-isoquinolin-8-yl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 103143559
1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137911
1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 105149342
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 105149963

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine (CID 103136902) is 1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine is CNC(c1cnn(C)c1C)c1cccc2ccncc12.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine?
The InChIKey is XDBNVNHVDDPTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-14(10-19-20(11)3)16(17-2)13-6-4-5-12-7-8-18-9-15(12)13/h4-10,16-17H,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine?
1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine has a molecular weight of 266.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine is sourced from PubChem (CID 103136902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).