7-(azocan-1-yl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine

C15H22N4O — CID 56898341

IUPAC7-(azocan-1-yl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOCc1cc(N2CCCCCCC2)n2nccc2n1
InChIInChI=1S/C15H22N4O/c1-20-12-13-11-15(19-14(17-13)7-8-16-19)18-9-5-3-2-4-6-10-18/h7-8,11H,2-6,9-10,12H2,1H3
InChIKeyRCDURGQUHWKIIR-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.65
Rot. Bonds3

About 7-(azocan-1-yl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine

7-(azocan-1-yl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 56898341) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 7-(azocan-1-yl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(azocan-1-yl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID56898341
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name7-(azocan-1-yl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOCc1cc(N2CCCCCCC2)n2nccc2n1
InChIInChI=1S/C15H22N4O/c1-20-12-13-11-15(19-14(17-13)7-8-16-19)18-9-5-3-2-4-6-10-18/h7-8,11H,2-6,9-10,12H2,1H3
InChIKeyRCDURGQUHWKIIR-UHFFFAOYSA-N
XLogP2.65
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(azocan-1-yl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine 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 7-(azocan-1-yl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(azocan-1-yl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine (CID 56898341) is 7-(azocan-1-yl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(azocan-1-yl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(azocan-1-yl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine is COCc1cc(N2CCCCCCC2)n2nccc2n1.
What is the InChIKey of 7-(azocan-1-yl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is RCDURGQUHWKIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-20-12-13-11-15(19-14(17-13)7-8-16-19)18-9-5-3-2-4-6-10-18/h7-8,11H,2-6,9-10,12H2,1H3.
What are the key properties of 7-(azocan-1-yl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine?
7-(azocan-1-yl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 274.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azocan-1-yl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56898341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).