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

C21H24N4O4 — CID 46973532

IUPAC3-(3,4-dimethoxyphenyl)-2-ethyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)cc(C3CC(=O)N(C)C3)nc2c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H24N4O4/c1-5-14-20(12-6-7-16(28-3)17(8-12)29-4)21-22-15(10-19(27)25(21)23-14)13-9-18(26)24(2)11-13/h6-8,10,13,23H,5,9,11H2,1-4H3
InChIKeyZPQNFTFNUOCRJW-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.21
Rot. Bonds5

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

3-(3,4-dimethoxyphenyl)-2-ethyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46973532) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-ethyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-ethyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46973532
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name3-(3,4-dimethoxyphenyl)-2-ethyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)cc(C3CC(=O)N(C)C3)nc2c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H24N4O4/c1-5-14-20(12-6-7-16(28-3)17(8-12)29-4)21-22-15(10-19(27)25(21)23-14)13-9-18(26)24(2)11-13/h6-8,10,13,23H,5,9,11H2,1-4H3
InChIKeyZPQNFTFNUOCRJW-UHFFFAOYSA-N
XLogP2.21
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-(methoxymethyl)-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98139087
3-(4-chlorophenyl)-2-(methoxymethyl)-5-[(3S)-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 31160716
5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973506
3-(3,4-dimethoxyphenyl)-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 87222233
3-(3,4-dimethoxyphenyl)-2-methyl-5-(5-propyl-1,2-oxazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973520
5-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98139214
5-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973774
2-ethyl-3-phenyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92588424
2-ethyl-3-(4-methoxyphenyl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17168548
3-(4-methoxy-3-methylphenyl)-2-methyl-5-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171140473
5-(3-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171140472
3-(3,4-dimethoxyphenyl)-2-methyl-5-(pyridin-2-ylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973866

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-ethyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-ethyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46973532) is 3-(3,4-dimethoxyphenyl)-2-ethyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-ethyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-ethyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1[nH]n2c(=O)cc(C3CC(=O)N(C)C3)nc2c1-c1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-ethyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZPQNFTFNUOCRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-5-14-20(12-6-7-16(28-3)17(8-12)29-4)21-22-15(10-19(27)25(21)23-14)13-9-18(26)24(2)11-13/h6-8,10,13,23H,5,9,11H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-ethyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(3,4-dimethoxyphenyl)-2-ethyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 396.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-ethyl-5-(1-methyl-5-oxopyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46973532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).