N-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine

C17H19N5O2 — CID 24994207

IUPACN-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccn2ncc(-c3ccc4c(c3)OCO4)c2n1
InChIInChI=1S/C17H19N5O2/c1-21(2)8-6-18-16-5-7-22-17(20-16)13(10-19-22)12-3-4-14-15(9-12)24-11-23-14/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,18,20)
InChIKeyCYSKJFIYSGHELU-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.10
Rot. Bonds5

About N-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine

N-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 24994207) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID24994207
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccn2ncc(-c3ccc4c(c3)OCO4)c2n1
InChIInChI=1S/C17H19N5O2/c1-21(2)8-6-18-16-5-7-22-17(20-16)13(10-19-22)12-3-4-14-15(9-12)24-11-23-14/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,18,20)
InChIKeyCYSKJFIYSGHELU-UHFFFAOYSA-N
XLogP2.10
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine (CID 24994207) is N-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ccn2ncc(-c3ccc4c(c3)OCO4)c2n1.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is CYSKJFIYSGHELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-21(2)8-6-18-16-5-7-22-17(20-16)13(10-19-22)12-3-4-14-15(9-12)24-11-23-14/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine?
N-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 325.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 24994207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).