(1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine

C16H18N4O — CID 114651952

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine
SMILESCCn1ncc(OC)c1C(N)c1nccc2ccccc12
InChIInChI=1S/C16H18N4O/c1-3-20-16(13(21-2)10-19-20)14(17)15-12-7-5-4-6-11(12)8-9-18-15/h4-10,14H,3,17H2,1-2H3
InChIKeyMOXBJHDDESGNCC-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.51
Rot. Bonds4

About (1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine

(1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine (PubChem CID 114651952) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine
PubChem CID114651952
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine
SMILESCCn1ncc(OC)c1C(N)c1nccc2ccccc12
InChIInChI=1S/C16H18N4O/c1-3-20-16(13(21-2)10-19-20)14(17)15-12-7-5-4-6-11(12)8-9-18-15/h4-10,14H,3,17H2,1-2H3
InChIKeyMOXBJHDDESGNCC-UHFFFAOYSA-N
XLogP2.51
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047710
(2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114657653
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methylpyrazin-2-yl)methanamine
CID 105186704
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine
CID 105186612
[(1-ethyl-4-methoxypyrazol-5-yl)-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209168
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105186639
(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047931
[(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105268019
(1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine
CID 105047835
isoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine
CID 63950472
(1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105047748
(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114646610

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine (CID 114651952) is (1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine is CCn1ncc(OC)c1C(N)c1nccc2ccccc12.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine?
The InChIKey is MOXBJHDDESGNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-20-16(13(21-2)10-19-20)14(17)15-12-7-5-4-6-11(12)8-9-18-15/h4-10,14H,3,17H2,1-2H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine?
(1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine has a molecular weight of 282.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine is sourced from PubChem (CID 114651952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).