2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]-N-[3-(5-oxopyrrolidin-2-yl)phenyl]acetamide

C19H24N4O3 — CID 166256718

IUPAC2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]-N-[3-(5-oxopyrrolidin-2-yl)phenyl]acetamide
SMILESCC(C)Cn1[nH]c(CC(=O)Nc2cccc(C3CCC(=O)N3)c2)cc1=O
InChIInChI=1S/C19H24N4O3/c1-12(2)11-23-19(26)10-15(22-23)9-18(25)20-14-5-3-4-13(8-14)16-6-7-17(24)21-16/h3-5,8,10,12,16,22H,6-7,9,11H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyYBNOCEJSPPTADH-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.96
Rot. Bonds6

About 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]-N-[3-(5-oxopyrrolidin-2-yl)phenyl]acetamide

2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]-N-[3-(5-oxopyrrolidin-2-yl)phenyl]acetamide (PubChem CID 166256718) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]-N-[3-(5-oxopyrrolidin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]-N-[3-(5-oxopyrrolidin-2-yl)phenyl]acetamide
PubChem CID166256718
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]-N-[3-(5-oxopyrrolidin-2-yl)phenyl]acetamide
SMILESCC(C)Cn1[nH]c(CC(=O)Nc2cccc(C3CCC(=O)N3)c2)cc1=O
InChIInChI=1S/C19H24N4O3/c1-12(2)11-23-19(26)10-15(22-23)9-18(25)20-14-5-3-4-13(8-14)16-6-7-17(24)21-16/h3-5,8,10,12,16,22H,6-7,9,11H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyYBNOCEJSPPTADH-UHFFFAOYSA-N
XLogP1.96
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5-oxopyrrolidin-2-yl)phenyl]-2-phenoxyacetamide
CID 167939156
4-methoxy-N-[3-(5-oxopyrrolidin-2-yl)phenyl]pyridine-3-carboxamide
CID 167991293
1-benzyl-3,5-dimethyl-N-[3-(5-oxopyrrolidin-2-yl)phenyl]pyrazole-4-carboxamide
CID 166237160
N-[3-(5-oxopyrrolidin-2-yl)phenyl]-2-phenoxybenzamide
CID 167859238
N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenylacetamide
CID 110715395
5-[3-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]phenyl]pyrrolidin-2-one
CID 138019125
methyl 3-ethyl-4-methyl-2-oxo-6-[3-(propanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 42753539
cis-(1R,4R)-3-oxo-4-[3-(propanoylamino)phenyl]cyclopentane-1-carboxylic acid
CID 95731321
7-fluoro-N-[3-(5-oxopyrrolidin-2-yl)phenyl]isoquinoline-6-carboxamide
CID 167861382
propan-2-yl 3-ethyl-4-methyl-2-oxo-6-[3-(propanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 5032455
N-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide
CID 176689408
N-[3-[(2S)-pyrrolidin-2-yl]phenyl]acetamide
CID 66518494

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]-N-[3-(5-oxopyrrolidin-2-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]-N-[3-(5-oxopyrrolidin-2-yl)phenyl]acetamide (CID 166256718) is 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]-N-[3-(5-oxopyrrolidin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]-N-[3-(5-oxopyrrolidin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]-N-[3-(5-oxopyrrolidin-2-yl)phenyl]acetamide is CC(C)Cn1[nH]c(CC(=O)Nc2cccc(C3CCC(=O)N3)c2)cc1=O.
What is the InChIKey of 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]-N-[3-(5-oxopyrrolidin-2-yl)phenyl]acetamide?
The InChIKey is YBNOCEJSPPTADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12(2)11-23-19(26)10-15(22-23)9-18(25)20-14-5-3-4-13(8-14)16-6-7-17(24)21-16/h3-5,8,10,12,16,22H,6-7,9,11H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]-N-[3-(5-oxopyrrolidin-2-yl)phenyl]acetamide?
2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]-N-[3-(5-oxopyrrolidin-2-yl)phenyl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]-N-[3-(5-oxopyrrolidin-2-yl)phenyl]acetamide is sourced from PubChem (CID 166256718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).