N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C23H24N4O3 — CID 32684872

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1c(NC(=O)c2ccc(CN3CCCC3=O)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H24N4O3/c1-16-21(23(30)27(25(16)2)19-7-4-3-5-8-19)24-22(29)18-12-10-17(11-13-18)15-26-14-6-9-20(26)28/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,24,29)
InChIKeyVINIWMZNLHKNPT-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.86
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 32684872) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID32684872
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1c(NC(=O)c2ccc(CN3CCCC3=O)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H24N4O3/c1-16-21(23(30)27(25(16)2)19-7-4-3-5-8-19)24-22(29)18-12-10-17(11-13-18)15-26-14-6-9-20(26)28/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,24,29)
InChIKeyVINIWMZNLHKNPT-UHFFFAOYSA-N
XLogP2.86
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 32684872) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1c(NC(=O)c2ccc(CN3CCCC3=O)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is VINIWMZNLHKNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16-21(23(30)27(25(16)2)19-7-4-3-5-8-19)24-22(29)18-12-10-17(11-13-18)15-26-14-6-9-20(26)28/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,24,29).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 404.47 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 32684872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).