5-(2,2-dimethylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C11H15N3O — CID 21035728

IUPAC5-(2,2-dimethylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)(C)Cc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C11H15N3O/c1-11(2,3)7-8-6-10(15)14-9(13-8)4-5-12-14/h4-6,12H,7H2,1-3H3
InChIKeyMRTFYHFSXOOCJZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.61
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(2,2-dimethylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 21035728) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID21035728
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-(2,2-dimethylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)(C)Cc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C11H15N3O/c1-11(2,3)7-8-6-10(15)14-9(13-8)4-5-12-14/h4-6,12H,7H2,1-3H3
InChIKeyMRTFYHFSXOOCJZ-UHFFFAOYSA-N
XLogP1.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2,2-dimethylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 21035728) is 5-(2,2-dimethylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC(C)(C)Cc1cc(=O)n2[nH]ccc2n1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MRTFYHFSXOOCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-11(2,3)7-8-6-10(15)14-9(13-8)4-5-12-14/h4-6,12H,7H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(2,2-dimethylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 205.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 21035728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).