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

C20H22N4O3 — CID 46973506

IUPAC5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCCN1CC(c2cc(=O)n3[nH]c(C)c(-c4ccccc4)c3n2)CC1=O
InChIInChI=1S/C20H22N4O3/c1-13-19(14-6-4-3-5-7-14)20-21-16(11-18(26)24(20)22-13)15-10-17(25)23(12-15)8-9-27-2/h3-7,11,15,22H,8-10,12H2,1-2H3
InChIKeyMDEBWYAVPDIHEP-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.96
Rot. Bonds5

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

5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46973506) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46973506
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCCN1CC(c2cc(=O)n3[nH]c(C)c(-c4ccccc4)c3n2)CC1=O
InChIInChI=1S/C20H22N4O3/c1-13-19(14-6-4-3-5-7-14)20-21-16(11-18(26)24(20)22-13)15-10-17(25)23(12-15)8-9-27-2/h3-7,11,15,22H,8-10,12H2,1-2H3
InChIKeyMDEBWYAVPDIHEP-UHFFFAOYSA-N
XLogP1.96
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46973506) is 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COCCN1CC(c2cc(=O)n3[nH]c(C)c(-c4ccccc4)c3n2)CC1=O.
What is the InChIKey of 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MDEBWYAVPDIHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-19(14-6-4-3-5-7-14)20-21-16(11-18(26)24(20)22-13)15-10-17(25)23(12-15)8-9-27-2/h3-7,11,15,22H,8-10,12H2,1-2H3.
What are the key properties of 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 366.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46973506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).