7-(dimethoxymethyl)-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C14H24N4O2 — CID 136837460

IUPAC7-(dimethoxymethyl)-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCOC(OC)C1CCNc2cc(C3CCNCC3)nn21
InChIInChI=1S/C14H24N4O2/c1-19-14(20-2)12-5-8-16-13-9-11(17-18(12)13)10-3-6-15-7-4-10/h9-10,12,14-16H,3-8H2,1-2H3
InChIKeyFNPYBQGAGUZMHR-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.33
Rot. Bonds4

About 7-(dimethoxymethyl)-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(dimethoxymethyl)-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136837460) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 7-(dimethoxymethyl)-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(dimethoxymethyl)-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136837460
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name7-(dimethoxymethyl)-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCOC(OC)C1CCNc2cc(C3CCNCC3)nn21
InChIInChI=1S/C14H24N4O2/c1-19-14(20-2)12-5-8-16-13-9-11(17-18(12)13)10-3-6-15-7-4-10/h9-10,12,14-16H,3-8H2,1-2H3
InChIKeyFNPYBQGAGUZMHR-UHFFFAOYSA-N
XLogP1.33
TPSA60.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethoxymethyl)-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(dimethoxymethyl)-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136837460) is 7-(dimethoxymethyl)-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(dimethoxymethyl)-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(dimethoxymethyl)-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is COC(OC)C1CCNc2cc(C3CCNCC3)nn21.
What is the InChIKey of 7-(dimethoxymethyl)-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is FNPYBQGAGUZMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-19-14(20-2)12-5-8-16-13-9-11(17-18(12)13)10-3-6-15-7-4-10/h9-10,12,14-16H,3-8H2,1-2H3.
What are the key properties of 7-(dimethoxymethyl)-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(dimethoxymethyl)-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 280.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethoxymethyl)-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136837460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).