5-(methoxymethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H15N3O2 — CID 685204

IUPAC5-(methoxymethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C15H15N3O2/c1-10-14(11-6-4-3-5-7-11)15-16-12(9-20-2)8-13(19)18(15)17-10/h3-8,17H,9H2,1-2H3
InChIKeyHDAUYCPGQKWRPG-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.14
Rot. Bonds3

About 5-(methoxymethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(methoxymethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 685204) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-(methoxymethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(methoxymethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID685204
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-(methoxymethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C15H15N3O2/c1-10-14(11-6-4-3-5-7-11)15-16-12(9-20-2)8-13(19)18(15)17-10/h3-8,17H,9H2,1-2H3
InChIKeyHDAUYCPGQKWRPG-UHFFFAOYSA-N
XLogP2.14
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(methoxymethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 685204) is 5-(methoxymethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(methoxymethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(methoxymethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COCc1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1.
What is the InChIKey of 5-(methoxymethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HDAUYCPGQKWRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-14(11-6-4-3-5-7-11)15-16-12(9-20-2)8-13(19)18(15)17-10/h3-8,17H,9H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(methoxymethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 269.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 685204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).