8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine

C13H12N4O — CID 103140085

IUPAC8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine
SMILESCc1cc(Oc2ccc(N)c3ccncc23)n[nH]1
InChIInChI=1S/C13H12N4O/c1-8-6-13(17-16-8)18-12-3-2-11(14)9-4-5-15-7-10(9)12/h2-7H,14H2,1H3,(H,16,17)
InChIKeyZORKWTVOSPJKPA-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.64
Rot. Bonds2

About 8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine

8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine (PubChem CID 103140085) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine.

Molecular Properties

Compound Name8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine
PubChem CID103140085
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine
SMILESCc1cc(Oc2ccc(N)c3ccncc23)n[nH]1
InChIInChI=1S/C13H12N4O/c1-8-6-13(17-16-8)18-12-3-2-11(14)9-4-5-15-7-10(9)12/h2-7H,14H2,1H3,(H,16,17)
InChIKeyZORKWTVOSPJKPA-UHFFFAOYSA-N
XLogP2.64
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine?
The IUPAC name of 8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine (CID 103140085) is 8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine.
What is the SMILES notation for 8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine?
The canonical SMILES for 8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine is Cc1cc(Oc2ccc(N)c3ccncc23)n[nH]1.
What is the InChIKey of 8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine?
The InChIKey is ZORKWTVOSPJKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-6-13(17-16-8)18-12-3-2-11(14)9-4-5-15-7-10(9)12/h2-7H,14H2,1H3,(H,16,17).
What are the key properties of 8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine?
8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine has a molecular weight of 240.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-methyl-1H-pyrazol-3-yl)oxy]isoquinolin-5-amine is sourced from PubChem (CID 103140085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).