5-(methoxymethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C9H11N3O2 — CID 104621503

IUPAC5-(methoxymethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1cc(=O)n2[nH]cc(C)c2n1
InChIInChI=1S/C9H11N3O2/c1-6-4-10-12-8(13)3-7(5-14-2)11-9(6)12/h3-4,10H,5H2,1-2H3
InChIKeyVMQJDNKMDGMLJF-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.48
Rot. Bonds2

About 5-(methoxymethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(methoxymethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 104621503) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(methoxymethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID104621503
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name5-(methoxymethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1cc(=O)n2[nH]cc(C)c2n1
InChIInChI=1S/C9H11N3O2/c1-6-4-10-12-8(13)3-7(5-14-2)11-9(6)12/h3-4,10H,5H2,1-2H3
InChIKeyVMQJDNKMDGMLJF-UHFFFAOYSA-N
XLogP0.48
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(methoxymethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 104621503) is 5-(methoxymethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(methoxymethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(methoxymethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COCc1cc(=O)n2[nH]cc(C)c2n1.
What is the InChIKey of 5-(methoxymethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VMQJDNKMDGMLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-4-10-12-8(13)3-7(5-14-2)11-9(6)12/h3-4,10H,5H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(methoxymethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 193.21 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 104621503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).