N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C23H24N4O3 — CID 3980941

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2=O)cc1
InChIInChI=1S/C23H24N4O3/c1-15-9-11-18(12-10-15)26-14-17(13-20(26)28)22(29)24-21-16(2)25(3)27(23(21)30)19-7-5-4-6-8-19/h4-12,17H,13-14H2,1-3H3,(H,24,29)
InChIKeyZYUHYPJAILQUIE-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.78
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3980941) 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)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3980941
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2=O)cc1
InChIInChI=1S/C23H24N4O3/c1-15-9-11-18(12-10-15)26-14-17(13-20(26)28)22(29)24-21-16(2)25(3)27(23(21)30)19-7-5-4-6-8-19/h4-12,17H,13-14H2,1-3H3,(H,24,29)
InChIKeyZYUHYPJAILQUIE-UHFFFAOYSA-N
XLogP2.78
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 3980941) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2=O)cc1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZYUHYPJAILQUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15-9-11-18(12-10-15)26-14-17(13-20(26)28)22(29)24-21-16(2)25(3)27(23(21)30)19-7-5-4-6-8-19/h4-12,17H,13-14H2,1-3H3,(H,24,29).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.78, 4 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)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3980941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).