3-methyl-2-(5-methyloxolan-2-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C16H25N3O2 — CID 136837953

IUPAC3-methyl-2-(5-methyloxolan-2-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1c(C2CCC(C)O2)nn2c1NCCC2C1CCOC1
InChIInChI=1S/C16H25N3O2/c1-10-3-4-14(21-10)15-11(2)16-17-7-5-13(19(16)18-15)12-6-8-20-9-12/h10,12-14,17H,3-9H2,1-2H3
InChIKeyAVGRKBDOUUJHOC-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.82
Rot. Bonds2

About 3-methyl-2-(5-methyloxolan-2-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

3-methyl-2-(5-methyloxolan-2-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136837953) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-methyl-2-(5-methyloxolan-2-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-methyl-2-(5-methyloxolan-2-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136837953
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-methyl-2-(5-methyloxolan-2-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1c(C2CCC(C)O2)nn2c1NCCC2C1CCOC1
InChIInChI=1S/C16H25N3O2/c1-10-3-4-14(21-10)15-11(2)16-17-7-5-13(19(16)18-15)12-6-8-20-9-12/h10,12-14,17H,3-9H2,1-2H3
InChIKeyAVGRKBDOUUJHOC-UHFFFAOYSA-N
XLogP2.82
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5-methyloxolan-2-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-methyl-2-(5-methyloxolan-2-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136837953) is 3-methyl-2-(5-methyloxolan-2-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-methyl-2-(5-methyloxolan-2-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-methyl-2-(5-methyloxolan-2-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1c(C2CCC(C)O2)nn2c1NCCC2C1CCOC1.
What is the InChIKey of 3-methyl-2-(5-methyloxolan-2-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is AVGRKBDOUUJHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10-3-4-14(21-10)15-11(2)16-17-7-5-13(19(16)18-15)12-6-8-20-9-12/h10,12-14,17H,3-9H2,1-2H3.
What are the key properties of 3-methyl-2-(5-methyloxolan-2-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
3-methyl-2-(5-methyloxolan-2-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 291.39 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5-methyloxolan-2-yl)-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136837953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).