4-methyl-6,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-one

C13H19N3O — CID 67949176

IUPAC4-methyl-6,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)c1c(C(C)C)n2nccc2n(C)c1=O
InChIInChI=1S/C13H19N3O/c1-8(2)11-12(9(3)4)16-10(6-7-14-16)15(5)13(11)17/h6-9H,1-5H3
InChIKeyWZBKMARUCCYKAD-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.28
Rot. Bonds2

About 4-methyl-6,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-one

4-methyl-6,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 67949176) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-methyl-6,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name4-methyl-6,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID67949176
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-methyl-6,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(C)c1c(C(C)C)n2nccc2n(C)c1=O
InChIInChI=1S/C13H19N3O/c1-8(2)11-12(9(3)4)16-10(6-7-14-16)15(5)13(11)17/h6-9H,1-5H3
InChIKeyWZBKMARUCCYKAD-UHFFFAOYSA-N
XLogP2.28
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 4-methyl-6,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-one (CID 67949176) is 4-methyl-6,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 4-methyl-6,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 4-methyl-6,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-one is CC(C)c1c(C(C)C)n2nccc2n(C)c1=O.
What is the InChIKey of 4-methyl-6,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is WZBKMARUCCYKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8(2)11-12(9(3)4)16-10(6-7-14-16)15(5)13(11)17/h6-9H,1-5H3.
What are the key properties of 4-methyl-6,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-one?
4-methyl-6,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 233.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 67949176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).