3-(3,4-dimethoxyphenyl)-2-methyl-5-(5-propyl-1,2-oxazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C21H22N4O4 — CID 46973520

IUPAC3-(3,4-dimethoxyphenyl)-2-methyl-5-(5-propyl-1,2-oxazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(-c2cc(=O)n3[nH]c(C)c(-c4ccc(OC)c(OC)c4)c3n2)no1
InChIInChI=1S/C21H22N4O4/c1-5-6-14-10-16(24-29-14)15-11-19(26)25-21(22-15)20(12(2)23-25)13-7-8-17(27-3)18(9-13)28-4/h7-11,23H,5-6H2,1-4H3
InChIKeyLYISQBOOELDCIX-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.62
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-2-methyl-5-(5-propyl-1,2-oxazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(3,4-dimethoxyphenyl)-2-methyl-5-(5-propyl-1,2-oxazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46973520) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-methyl-5-(5-propyl-1,2-oxazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-methyl-5-(5-propyl-1,2-oxazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46973520
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name3-(3,4-dimethoxyphenyl)-2-methyl-5-(5-propyl-1,2-oxazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(-c2cc(=O)n3[nH]c(C)c(-c4ccc(OC)c(OC)c4)c3n2)no1
InChIInChI=1S/C21H22N4O4/c1-5-6-14-10-16(24-29-14)15-11-19(26)25-21(22-15)20(12(2)23-25)13-7-8-17(27-3)18(9-13)28-4/h7-11,23H,5-6H2,1-4H3
InChIKeyLYISQBOOELDCIX-UHFFFAOYSA-N
XLogP3.62
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methyl-5-(5-propyl-1,2-oxazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methyl-5-(5-propyl-1,2-oxazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46973520) is 3-(3,4-dimethoxyphenyl)-2-methyl-5-(5-propyl-1,2-oxazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-methyl-5-(5-propyl-1,2-oxazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-methyl-5-(5-propyl-1,2-oxazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCc1cc(-c2cc(=O)n3[nH]c(C)c(-c4ccc(OC)c(OC)c4)c3n2)no1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-methyl-5-(5-propyl-1,2-oxazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LYISQBOOELDCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-5-6-14-10-16(24-29-14)15-11-19(26)25-21(22-15)20(12(2)23-25)13-7-8-17(27-3)18(9-13)28-4/h7-11,23H,5-6H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-methyl-5-(5-propyl-1,2-oxazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(3,4-dimethoxyphenyl)-2-methyl-5-(5-propyl-1,2-oxazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 394.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-methyl-5-(5-propyl-1,2-oxazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46973520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).