N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

C20H21N3O — CID 3079322

IUPACN-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccccc1
InChIInChI=1S/C20H21N3O/c1-15-19(13-20(24)21-14-17-9-5-3-6-10-17)16(2)23(22-15)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3,(H,21,24)
InChIKeyIYVMAGZCVKXLCR-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.35
Rot. Bonds5

About N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 3079322) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID3079322
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccccc1
InChIInChI=1S/C20H21N3O/c1-15-19(13-20(24)21-14-17-9-5-3-6-10-17)16(2)23(22-15)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3,(H,21,24)
InChIKeyIYVMAGZCVKXLCR-UHFFFAOYSA-N
XLogP3.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 3079322) is N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is IYVMAGZCVKXLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15-19(13-20(24)21-14-17-9-5-3-6-10-17)16(2)23(22-15)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3,(H,21,24).
What are the key properties of N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 319.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 3079322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).