4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide

C17H20N6O — CID 155526266

IUPAC4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESCN(C)CCNc1ccn2ncc(-c3ccc(C(N)=O)cc3)c2n1
InChIInChI=1S/C17H20N6O/c1-22(2)10-8-19-15-7-9-23-17(21-15)14(11-20-23)12-3-5-13(6-4-12)16(18)24/h3-7,9,11H,8,10H2,1-2H3,(H2,18,24)(H,19,21)
InChIKeyUJMLZLMHAPTWPV-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.47
Rot. Bonds6

About 4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide

4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide (PubChem CID 155526266) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide.

Molecular Properties

Compound Name4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
PubChem CID155526266
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESCN(C)CCNc1ccn2ncc(-c3ccc(C(N)=O)cc3)c2n1
InChIInChI=1S/C17H20N6O/c1-22(2)10-8-19-15-7-9-23-17(21-15)14(11-20-23)12-3-5-13(6-4-12)16(18)24/h3-7,9,11H,8,10H2,1-2H3,(H2,18,24)(H,19,21)
InChIKeyUJMLZLMHAPTWPV-UHFFFAOYSA-N
XLogP1.47
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The IUPAC name of 4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide (CID 155526266) is 4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide.
What is the SMILES notation for 4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The canonical SMILES for 4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide is CN(C)CCNc1ccn2ncc(-c3ccc(C(N)=O)cc3)c2n1.
What is the InChIKey of 4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The InChIKey is UJMLZLMHAPTWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-22(2)10-8-19-15-7-9-23-17(21-15)14(11-20-23)12-3-5-13(6-4-12)16(18)24/h3-7,9,11H,8,10H2,1-2H3,(H2,18,24)(H,19,21).
What are the key properties of 4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide has a molecular weight of 324.39 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide is sourced from PubChem (CID 155526266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).