7-(1,3-benzodioxol-5-yl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C15H17N3O2 — CID 136838104

IUPAC7-(1,3-benzodioxol-5-yl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1C)NCCC2c1ccc2c(c1)OCO2
InChIInChI=1S/C15H17N3O2/c1-9-10(2)17-18-12(5-6-16-15(9)18)11-3-4-13-14(7-11)20-8-19-13/h3-4,7,12,16H,5-6,8H2,1-2H3
InChIKeyRIPCJPXTANVEHO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.63
Rot. Bonds1

About 7-(1,3-benzodioxol-5-yl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(1,3-benzodioxol-5-yl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136838104) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 7-(1,3-benzodioxol-5-yl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1,3-benzodioxol-5-yl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136838104
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name7-(1,3-benzodioxol-5-yl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1C)NCCC2c1ccc2c(c1)OCO2
InChIInChI=1S/C15H17N3O2/c1-9-10(2)17-18-12(5-6-16-15(9)18)11-3-4-13-14(7-11)20-8-19-13/h3-4,7,12,16H,5-6,8H2,1-2H3
InChIKeyRIPCJPXTANVEHO-UHFFFAOYSA-N
XLogP2.63
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzodioxol-5-yl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1,3-benzodioxol-5-yl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136838104) is 7-(1,3-benzodioxol-5-yl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1,3-benzodioxol-5-yl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1,3-benzodioxol-5-yl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1nn2c(c1C)NCCC2c1ccc2c(c1)OCO2.
What is the InChIKey of 7-(1,3-benzodioxol-5-yl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is RIPCJPXTANVEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-10(2)17-18-12(5-6-16-15(9)18)11-3-4-13-14(7-11)20-8-19-13/h3-4,7,12,16H,5-6,8H2,1-2H3.
What are the key properties of 7-(1,3-benzodioxol-5-yl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(1,3-benzodioxol-5-yl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 271.32 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzodioxol-5-yl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136838104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).