2,2-dimethyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one

C11H13N3O — CID 14501849

IUPAC2,2-dimethyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one
SMILESCC(C)(C)C(=O)c1cnn2cccnc12
InChIInChI=1S/C11H13N3O/c1-11(2,3)9(15)8-7-13-14-6-4-5-12-10(8)14/h4-7H,1-3H3
InChIKeyLUOHPJIIRCEWJW-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.96
Rot. Bonds1

About 2,2-dimethyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one

2,2-dimethyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one (PubChem CID 14501849) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2,2-dimethyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one
PubChem CID14501849
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2,2-dimethyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one
SMILESCC(C)(C)C(=O)c1cnn2cccnc12
InChIInChI=1S/C11H13N3O/c1-11(2,3)9(15)8-7-13-14-6-4-5-12-10(8)14/h4-7H,1-3H3
InChIKeyLUOHPJIIRCEWJW-UHFFFAOYSA-N
XLogP1.96
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one?
The IUPAC name of 2,2-dimethyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one (CID 14501849) is 2,2-dimethyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one is CC(C)(C)C(=O)c1cnn2cccnc12.
What is the InChIKey of 2,2-dimethyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one?
The InChIKey is LUOHPJIIRCEWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-11(2,3)9(15)8-7-13-14-6-4-5-12-10(8)14/h4-7H,1-3H3.
What are the key properties of 2,2-dimethyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one?
2,2-dimethyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one has a molecular weight of 203.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one is sourced from PubChem (CID 14501849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).