N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine

C16H18N4 — CID 115990474

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
SMILESCCc1nn(C)cc1CNc1nccc2ccccc12
InChIInChI=1S/C16H18N4/c1-3-15-13(11-20(2)19-15)10-18-16-14-7-5-4-6-12(14)8-9-17-16/h4-9,11H,3,10H2,1-2H3,(H,17,18)
InChIKeyOOZUWYVOPOWXEY-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.14
Rot. Bonds4

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine (PubChem CID 115990474) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
PubChem CID115990474
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
SMILESCCc1nn(C)cc1CNc1nccc2ccccc12
InChIInChI=1S/C16H18N4/c1-3-15-13(11-20(2)19-15)10-18-16-14-7-5-4-6-12(14)8-9-17-16/h4-9,11H,3,10H2,1-2H3,(H,17,18)
InChIKeyOOZUWYVOPOWXEY-UHFFFAOYSA-N
XLogP3.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylphthalazin-1-amine
CID 115887018
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114599022
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 112549966
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine
CID 106579501
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cinnolin-4-amine
CID 115990483
N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
CID 39756579
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,3-difluoroaniline
CID 112668970
4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 112672208
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 112672293
5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 112549960
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine
CID 112550005
3-(2,6-dimethylmorpholin-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinoxalin-2-amine
CID 133444786

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine (CID 115990474) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine is CCc1nn(C)cc1CNc1nccc2ccccc12.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine?
The InChIKey is OOZUWYVOPOWXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-3-15-13(11-20(2)19-15)10-18-16-14-7-5-4-6-12(14)8-9-17-16/h4-9,11H,3,10H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine has a molecular weight of 266.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine is sourced from PubChem (CID 115990474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).