1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone

C10H11N3O — CID 83877102

IUPAC1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
SMILESCC(=O)c1cnn2c(C)cc(C)nc12
InChIInChI=1S/C10H11N3O/c1-6-4-7(2)13-10(12-6)9(5-11-13)8(3)14/h4-5H,1-3H3
InChIKeyFWISWZMPOZIWOZ-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.55
Rot. Bonds1

About 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone

1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone (PubChem CID 83877102) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
PubChem CID83877102
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
SMILESCC(=O)c1cnn2c(C)cc(C)nc12
InChIInChI=1S/C10H11N3O/c1-6-4-7(2)13-10(12-6)9(5-11-13)8(3)14/h4-5H,1-3H3
InChIKeyFWISWZMPOZIWOZ-UHFFFAOYSA-N
XLogP1.55
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The IUPAC name of 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone (CID 83877102) is 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone.
What is the SMILES notation for 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The canonical SMILES for 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone is CC(=O)c1cnn2c(C)cc(C)nc12.
What is the InChIKey of 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The InChIKey is FWISWZMPOZIWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-6-4-7(2)13-10(12-6)9(5-11-13)8(3)14/h4-5H,1-3H3.
What are the key properties of 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone has a molecular weight of 189.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone is sourced from PubChem (CID 83877102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).