1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pyrazol-3-amine

C13H10N4O2 — CID 106541712

IUPAC1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pyrazol-3-amine
SMILESNc1ccn(-c2nccc3cc4c(cc23)OCO4)n1
InChIInChI=1S/C13H10N4O2/c14-12-2-4-17(16-12)13-9-6-11-10(18-7-19-11)5-8(9)1-3-15-13/h1-6H,7H2,(H2,14,16)
InChIKeyHIFRXZUUJKGJNT-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.73
Rot. Bonds1

About 1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pyrazol-3-amine

1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pyrazol-3-amine (PubChem CID 106541712) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pyrazol-3-amine
PubChem CID106541712
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pyrazol-3-amine
SMILESNc1ccn(-c2nccc3cc4c(cc23)OCO4)n1
InChIInChI=1S/C13H10N4O2/c14-12-2-4-17(16-12)13-9-6-11-10(18-7-19-11)5-8(9)1-3-15-13/h1-6H,7H2,(H2,14,16)
InChIKeyHIFRXZUUJKGJNT-UHFFFAOYSA-N
XLogP1.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pyrazol-3-amine?
The IUPAC name of 1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pyrazol-3-amine (CID 106541712) is 1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pyrazol-3-amine.
What is the SMILES notation for 1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pyrazol-3-amine?
The canonical SMILES for 1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pyrazol-3-amine is Nc1ccn(-c2nccc3cc4c(cc23)OCO4)n1.
What is the InChIKey of 1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pyrazol-3-amine?
The InChIKey is HIFRXZUUJKGJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-12-2-4-17(16-12)13-9-6-11-10(18-7-19-11)5-8(9)1-3-15-13/h1-6H,7H2,(H2,14,16).
What are the key properties of 1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pyrazol-3-amine?
1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pyrazol-3-amine has a molecular weight of 254.25 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pyrazol-3-amine is sourced from PubChem (CID 106541712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).