5-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C24H22N4O2 — CID 46973516

IUPAC5-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cccc(-c2cc3nc(C4CC(=O)N(Cc5ccccc5)C4)cc(=O)n3[nH]2)c1
InChIInChI=1S/C24H22N4O2/c1-16-6-5-9-18(10-16)21-12-22-25-20(13-24(30)28(22)26-21)19-11-23(29)27(15-19)14-17-7-3-2-4-8-17/h2-10,12-13,19,26H,11,14-15H2,1H3
InChIKeyLDYACFJGCYTBFR-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.51
Rot. Bonds4

About 5-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46973516) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46973516
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name5-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cccc(-c2cc3nc(C4CC(=O)N(Cc5ccccc5)C4)cc(=O)n3[nH]2)c1
InChIInChI=1S/C24H22N4O2/c1-16-6-5-9-18(10-16)21-12-22-25-20(13-24(30)28(22)26-21)19-11-23(29)27(15-19)14-17-7-3-2-4-8-17/h2-10,12-13,19,26H,11,14-15H2,1H3
InChIKeyLDYACFJGCYTBFR-UHFFFAOYSA-N
XLogP3.51
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46973516) is 5-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cccc(-c2cc3nc(C4CC(=O)N(Cc5ccccc5)C4)cc(=O)n3[nH]2)c1.
What is the InChIKey of 5-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LDYACFJGCYTBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16-6-5-9-18(10-16)21-12-22-25-20(13-24(30)28(22)26-21)19-11-23(29)27(15-19)14-17-7-3-2-4-8-17/h2-10,12-13,19,26H,11,14-15H2,1H3.
What are the key properties of 5-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 398.47 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46973516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).