N-benzyl-2-oxo-N-phenyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C21H21N3O2 — CID 52554768

IUPACN-benzyl-2-oxo-N-phenyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1C(=O)C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N3O2/c1-15-19(16(2)23(3)22-15)20(25)21(26)24(18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13H,14H2,1-3H3
InChIKeyNRGWWDQIYCOFSY-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.45
Rot. Bonds5

About N-benzyl-2-oxo-N-phenyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-benzyl-2-oxo-N-phenyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 52554768) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-benzyl-2-oxo-N-phenyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-oxo-N-phenyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID52554768
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-benzyl-2-oxo-N-phenyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1C(=O)C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N3O2/c1-15-19(16(2)23(3)22-15)20(25)21(26)24(18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13H,14H2,1-3H3
InChIKeyNRGWWDQIYCOFSY-UHFFFAOYSA-N
XLogP3.45
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 110682735
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52663080
2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 84962872
N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide
CID 42161824
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110001567
N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 75449858
ethyl 3-(N-benzylanilino)-2,3-dioxopropanoate
CID 134849073
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 171944096
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide
CID 108508402
[(E)-3-phenylprop-2-enyl] 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetate
CID 46645574
2-benzyl-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 119233638

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-oxo-N-phenyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-benzyl-2-oxo-N-phenyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 52554768) is N-benzyl-2-oxo-N-phenyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-benzyl-2-oxo-N-phenyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-benzyl-2-oxo-N-phenyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1C(=O)C(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-oxo-N-phenyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is NRGWWDQIYCOFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-19(16(2)23(3)22-15)20(25)21(26)24(18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13H,14H2,1-3H3.
What are the key properties of N-benzyl-2-oxo-N-phenyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-benzyl-2-oxo-N-phenyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-oxo-N-phenyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 52554768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).