(3-ethyl-1-methylpyrazol-4-yl)-isoquinolin-8-ylmethanamine

C16H18N4 — CID 103138051

IUPAC(3-ethyl-1-methylpyrazol-4-yl)-isoquinolin-8-ylmethanamine
SMILESCCc1nn(C)cc1C(N)c1cccc2ccncc12
InChIInChI=1S/C16H18N4/c1-3-15-14(10-20(2)19-15)16(17)12-6-4-5-11-7-8-18-9-13(11)12/h4-10,16H,3,17H2,1-2H3
InChIKeyBGSKKRAVZDJRKM-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.58
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-4-yl)-isoquinolin-8-ylmethanamine

(3-ethyl-1-methylpyrazol-4-yl)-isoquinolin-8-ylmethanamine (PubChem CID 103138051) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)-isoquinolin-8-ylmethanamine.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-4-yl)-isoquinolin-8-ylmethanamine
PubChem CID103138051
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name(3-ethyl-1-methylpyrazol-4-yl)-isoquinolin-8-ylmethanamine
SMILESCCc1nn(C)cc1C(N)c1cccc2ccncc12
InChIInChI=1S/C16H18N4/c1-3-15-14(10-20(2)19-15)16(17)12-6-4-5-11-7-8-18-9-13(11)12/h4-10,16H,3,17H2,1-2H3
InChIKeyBGSKKRAVZDJRKM-UHFFFAOYSA-N
XLogP2.58
TPSA56.73 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine
CID 102812033
isoquinolin-8-yl-(4-methyl-3-pyridinyl)methanamine
CID 103143849
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812331
isoquinolin-8-yl-(4-methylphenyl)methanamine
CID 103136734
(3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine
CID 103136203
isoquinolin-8-yl(pyridin-3-yl)methanamine
CID 103137345
(4-ethylsulfanylphenyl)-isoquinolin-8-ylmethanamine
CID 106848509
isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine
CID 103137421
(4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103136741
(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103135921
(3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine
CID 102812396
1-(3-ethyl-1-methylpyrazol-4-yl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 102812364

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-isoquinolin-8-ylmethanamine?
The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-isoquinolin-8-ylmethanamine (CID 103138051) is (3-ethyl-1-methylpyrazol-4-yl)-isoquinolin-8-ylmethanamine.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)-isoquinolin-8-ylmethanamine?
The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)-isoquinolin-8-ylmethanamine is CCc1nn(C)cc1C(N)c1cccc2ccncc12.
What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)-isoquinolin-8-ylmethanamine?
The InChIKey is BGSKKRAVZDJRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-3-15-14(10-20(2)19-15)16(17)12-6-4-5-11-7-8-18-9-13(11)12/h4-10,16H,3,17H2,1-2H3.
What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)-isoquinolin-8-ylmethanamine?
(3-ethyl-1-methylpyrazol-4-yl)-isoquinolin-8-ylmethanamine has a molecular weight of 266.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-4-yl)-isoquinolin-8-ylmethanamine is sourced from PubChem (CID 103138051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).