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

C15H14N4O2 — CID 106541703

IUPAC1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(-c2nccc3cc4c(cc23)OCO4)c(C)c1N
InChIInChI=1S/C15H14N4O2/c1-8-14(16)9(2)19(18-8)15-11-6-13-12(20-7-21-13)5-10(11)3-4-17-15/h3-6H,7,16H2,1-2H3
InChIKeyKVTBIEABMKZNBB-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.35
Rot. Bonds1

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

1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3,5-dimethylpyrazol-4-amine (PubChem CID 106541703) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3,5-dimethylpyrazol-4-amine
PubChem CID106541703
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(-c2nccc3cc4c(cc23)OCO4)c(C)c1N
InChIInChI=1S/C15H14N4O2/c1-8-14(16)9(2)19(18-8)15-11-6-13-12(20-7-21-13)5-10(11)3-4-17-15/h3-6H,7,16H2,1-2H3
InChIKeyKVTBIEABMKZNBB-UHFFFAOYSA-N
XLogP2.35
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine
CID 106541702
1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pyrazol-3-amine
CID 106541712
5-(4-iodopyrazol-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline
CID 106541305
5-chloro-[1,3]dioxolo[4,5-g]isoquinoline
CID 21192459
5-(2-methylpiperazin-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline
CID 106542351
5-propyl-[1,3]dioxolo[4,5-g]isoquinoline
CID 16638151
N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)propane-1,3-diamine
CID 82571318
6-(3-bromopyrrolidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 106542870
5-isoquinolin-1-yl-[1,3]dioxolo[4,5-f]indole
CID 164673967
2-[[1,3]dioxolo[4,5-g]isoquinolin-5-yl(ethyl)amino]ethanol
CID 106541393
6-(4-iodopyrazol-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 106541311
N'-cyclopropyl-N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethane-1,2-diamine
CID 106543337

Frequently Asked Questions

What is the IUPAC name of 1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3,5-dimethylpyrazol-4-amine (CID 106541703) is 1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3,5-dimethylpyrazol-4-amine is Cc1nn(-c2nccc3cc4c(cc23)OCO4)c(C)c1N.
What is the InChIKey of 1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3,5-dimethylpyrazol-4-amine?
The InChIKey is KVTBIEABMKZNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-8-14(16)9(2)19(18-8)15-11-6-13-12(20-7-21-13)5-10(11)3-4-17-15/h3-6H,7,16H2,1-2H3.
What are the key properties of 1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3,5-dimethylpyrazol-4-amine?
1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3,5-dimethylpyrazol-4-amine has a molecular weight of 282.30 g/mol, XLogP of 2.35, 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)-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 106541703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).