3-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C9H11N3O — CID 10607396

IUPAC3-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c[nH]n2c(=O)cc(C)nc12
InChIInChI=1S/C9H11N3O/c1-3-7-5-10-12-8(13)4-6(2)11-9(7)12/h4-5,10H,3H2,1-2H3
InChIKeyVJPUNTGCFBEDFS-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.89
Rot. Bonds1

About 3-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 10607396) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID10607396
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name3-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c[nH]n2c(=O)cc(C)nc12
InChIInChI=1S/C9H11N3O/c1-3-7-5-10-12-8(13)4-6(2)11-9(7)12/h4-5,10H,3H2,1-2H3
InChIKeyVJPUNTGCFBEDFS-UHFFFAOYSA-N
XLogP0.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 10607396) is 3-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c[nH]n2c(=O)cc(C)nc12.
What is the InChIKey of 3-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VJPUNTGCFBEDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-3-7-5-10-12-8(13)4-6(2)11-9(7)12/h4-5,10H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 177.21 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 10607396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).