1-[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-3-yl]-N-methylmethanamine

C16H18N4O — CID 116802822

IUPAC1-[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-3-yl]-N-methylmethanamine
SMILESCCn1cc(Oc2nc(CNC)cc3ccccc23)cn1
InChIInChI=1S/C16H18N4O/c1-3-20-11-14(10-18-20)21-16-15-7-5-4-6-12(15)8-13(19-16)9-17-2/h4-8,10-11,17H,3,9H2,1-2H3
InChIKeyJQKHONAQAMYXGG-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.96
Rot. Bonds5

About 1-[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-3-yl]-N-methylmethanamine

1-[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-3-yl]-N-methylmethanamine (PubChem CID 116802822) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-3-yl]-N-methylmethanamine
PubChem CID116802822
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-3-yl]-N-methylmethanamine
SMILESCCn1cc(Oc2nc(CNC)cc3ccccc23)cn1
InChIInChI=1S/C16H18N4O/c1-3-20-11-14(10-18-20)21-16-15-7-5-4-6-12(15)8-13(19-16)9-17-2/h4-8,10-11,17H,3,9H2,1-2H3
InChIKeyJQKHONAQAMYXGG-UHFFFAOYSA-N
XLogP2.96
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-ethylpyrazol-4-yl)oxyquinolin-4-yl]-N-methylmethanamine
CID 116802845
1-[1-(2-bromophenoxy)isoquinolin-3-yl]-N-methylmethanamine
CID 62297220
1-[1-(2-chlorophenoxy)isoquinolin-3-yl]-N-methylmethanamine
CID 62298180
[4-(1-ethylpyrazol-4-yl)oxyquinazolin-2-yl]hydrazine
CID 116806830
[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-4-yl]methanol
CID 106768860
1-[5-bromo-2-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 114061875
1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 116802117
1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine
CID 62292060
6-ethyl-4-(1-ethylpyrazol-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333513
N-methyl-1-[1-(oxan-4-yloxy)isoquinolin-3-yl]methanamine
CID 62288419
1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine
CID 114929109
1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116801665

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-3-yl]-N-methylmethanamine (CID 116802822) is 1-[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-3-yl]-N-methylmethanamine is CCn1cc(Oc2nc(CNC)cc3ccccc23)cn1.
What is the InChIKey of 1-[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-3-yl]-N-methylmethanamine?
The InChIKey is JQKHONAQAMYXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-20-11-14(10-18-20)21-16-15-7-5-4-6-12(15)8-13(19-16)9-17-2/h4-8,10-11,17H,3,9H2,1-2H3.
What are the key properties of 1-[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-3-yl]-N-methylmethanamine?
1-[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-3-yl]-N-methylmethanamine has a molecular weight of 282.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethylpyrazol-4-yl)oxyisoquinolin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 116802822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).