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

C14H13N3O2 — CID 683407

IUPAC5-(methoxymethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1cc(=O)n2[nH]cc(-c3ccccc3)c2n1
InChIInChI=1S/C14H13N3O2/c1-19-9-11-7-13(18)17-14(16-11)12(8-15-17)10-5-3-2-4-6-10/h2-8,15H,9H2,1H3
InChIKeyGJLOHHSSFOFTOZ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.84
Rot. Bonds3

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

5-(methoxymethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 683407) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(methoxymethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID683407
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-(methoxymethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1cc(=O)n2[nH]cc(-c3ccccc3)c2n1
InChIInChI=1S/C14H13N3O2/c1-19-9-11-7-13(18)17-14(16-11)12(8-15-17)10-5-3-2-4-6-10/h2-8,15H,9H2,1H3
InChIKeyGJLOHHSSFOFTOZ-UHFFFAOYSA-N
XLogP1.84
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(methoxymethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 683407) is 5-(methoxymethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(methoxymethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(methoxymethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COCc1cc(=O)n2[nH]cc(-c3ccccc3)c2n1.
What is the InChIKey of 5-(methoxymethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GJLOHHSSFOFTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-19-9-11-7-13(18)17-14(16-11)12(8-15-17)10-5-3-2-4-6-10/h2-8,15H,9H2,1H3.
What are the key properties of 5-(methoxymethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(methoxymethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 255.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 683407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).