2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

C21H18N4O3 — CID 46583198

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H18N4O3/c1-13-7-9-15(10-8-13)25-18(11-14(2)23-25)22-19(26)12-24-20(27)16-5-3-4-6-17(16)21(24)28/h3-11H,12H2,1-2H3,(H,22,26)
InChIKeyBCDMWEUNXIIFIJ-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.72
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide (PubChem CID 46583198) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
PubChem CID46583198
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H18N4O3/c1-13-7-9-15(10-8-13)25-18(11-14(2)23-25)22-19(26)12-24-20(27)16-5-3-4-6-17(16)21(24)28/h3-11H,12H2,1-2H3,(H,22,26)
InChIKeyBCDMWEUNXIIFIJ-UHFFFAOYSA-N
XLogP2.72
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 38846218
3-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]propanamide
CID 55507513
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 55925781
N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 16797171
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 78817652
2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]acetamide
CID 60607497
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 18292422
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 120760391
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 30835421
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 43058477
N-(2,6-dibromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16520905
2-[[cyclopropyl(phenyl)methyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 112806614

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide (CID 46583198) is 2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide is Cc1ccc(-n2nc(C)cc2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The InChIKey is BCDMWEUNXIIFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-7-9-15(10-8-13)25-18(11-14(2)23-25)22-19(26)12-24-20(27)16-5-3-4-6-17(16)21(24)28/h3-11H,12H2,1-2H3,(H,22,26).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide has a molecular weight of 374.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 46583198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).