N-[3-methyl-4-(4-methyl-3-oxopyrazolidin-1-yl)phenyl]acetamide

C13H17N3O2 — CID 20669696

IUPACN-[3-methyl-4-(4-methyl-3-oxopyrazolidin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CC(C)C(=O)N2)c(C)c1
InChIInChI=1S/C13H17N3O2/c1-8-6-11(14-10(3)17)4-5-12(8)16-7-9(2)13(18)15-16/h4-6,9H,7H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyKWBUFUFMFFLYAA-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.44
Rot. Bonds2

About N-[3-methyl-4-(4-methyl-3-oxopyrazolidin-1-yl)phenyl]acetamide

N-[3-methyl-4-(4-methyl-3-oxopyrazolidin-1-yl)phenyl]acetamide (PubChem CID 20669696) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[3-methyl-4-(4-methyl-3-oxopyrazolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-4-(4-methyl-3-oxopyrazolidin-1-yl)phenyl]acetamide
PubChem CID20669696
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[3-methyl-4-(4-methyl-3-oxopyrazolidin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CC(C)C(=O)N2)c(C)c1
InChIInChI=1S/C13H17N3O2/c1-8-6-11(14-10(3)17)4-5-12(8)16-7-9(2)13(18)15-16/h4-6,9H,7H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyKWBUFUFMFFLYAA-UHFFFAOYSA-N
XLogP1.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide
CID 19169546
N-[4-(1,3-dioxolan-2-yl)-3-methylphenyl]acetamide
CID 163853434
N-(4-acetyl-3-methylphenyl)acetamide
CID 2737381
N-(3-methyl-2,3-dihydro-1H-indol-5-yl)acetamide
CID 119085478
N-[4-(4-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide
CID 4186370
(2S)-2-acetamido-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methylsulfanylbutanamide
CID 131926992
N-(4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl)acetamide
CID 22338118
trans-(1S,2S)-2-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 25344418
N-[3-fluoro-4-[(3R)-3-methylpiperazin-1-yl]sulfonylphenyl]acetamide
CID 104974956
(2S)-4-[(4-acetamido-2-methylphenyl)methyl]-2-methylpiperazine-1-carboxylic acid
CID 67526452
N-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide
CID 79410911
(2S)-2-(cyclopropylmethoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 94797180

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(4-methyl-3-oxopyrazolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[3-methyl-4-(4-methyl-3-oxopyrazolidin-1-yl)phenyl]acetamide (CID 20669696) is N-[3-methyl-4-(4-methyl-3-oxopyrazolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-methyl-4-(4-methyl-3-oxopyrazolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[3-methyl-4-(4-methyl-3-oxopyrazolidin-1-yl)phenyl]acetamide is CC(=O)Nc1ccc(N2CC(C)C(=O)N2)c(C)c1.
What is the InChIKey of N-[3-methyl-4-(4-methyl-3-oxopyrazolidin-1-yl)phenyl]acetamide?
The InChIKey is KWBUFUFMFFLYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-6-11(14-10(3)17)4-5-12(8)16-7-9(2)13(18)15-16/h4-6,9H,7H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of N-[3-methyl-4-(4-methyl-3-oxopyrazolidin-1-yl)phenyl]acetamide?
N-[3-methyl-4-(4-methyl-3-oxopyrazolidin-1-yl)phenyl]acetamide has a molecular weight of 247.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(4-methyl-3-oxopyrazolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 20669696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).