7-(methoxymethyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C11H15N3O2 — CID 136868994

IUPAC7-(methoxymethyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCOCc1cc(=O)[nH]c2cc(C(C)C)nn12
InChIInChI=1S/C11H15N3O2/c1-7(2)9-5-10-12-11(15)4-8(6-16-3)14(10)13-9/h4-5,7H,6H2,1-3H3,(H,12,15)
InChIKeyYNWWFNIYYRYFKP-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.29
Rot. Bonds3

About 7-(methoxymethyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

7-(methoxymethyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 136868994) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 7-(methoxymethyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(methoxymethyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID136868994
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name7-(methoxymethyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCOCc1cc(=O)[nH]c2cc(C(C)C)nn12
InChIInChI=1S/C11H15N3O2/c1-7(2)9-5-10-12-11(15)4-8(6-16-3)14(10)13-9/h4-5,7H,6H2,1-3H3,(H,12,15)
InChIKeyYNWWFNIYYRYFKP-UHFFFAOYSA-N
XLogP1.29
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-(methoxymethyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 136868994) is 7-(methoxymethyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-(methoxymethyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-(methoxymethyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is COCc1cc(=O)[nH]c2cc(C(C)C)nn12.
What is the InChIKey of 7-(methoxymethyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is YNWWFNIYYRYFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(2)9-5-10-12-11(15)4-8(6-16-3)14(10)13-9/h4-5,7H,6H2,1-3H3,(H,12,15).
What are the key properties of 7-(methoxymethyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-(methoxymethyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 221.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-2-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 136868994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).