N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide

C20H21N3O — CID 86990135

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCc2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C20H21N3O/c1-16-7-9-17(10-8-16)11-20(24)21-12-19-13-22-23(15-19)14-18-5-3-2-4-6-18/h2-10,13,15H,11-12,14H2,1H3,(H,21,24)
InChIKeyRNMZLDCRUACAEA-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.10
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide

N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide (PubChem CID 86990135) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
PubChem CID86990135
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCc2cnn(Cc3ccccc3)c2)cc1
InChIInChI=1S/C20H21N3O/c1-16-7-9-17(10-8-16)11-20(24)21-12-19-13-22-23(15-19)14-18-5-3-2-4-6-18/h2-10,13,15H,11-12,14H2,1H3,(H,21,24)
InChIKeyRNMZLDCRUACAEA-UHFFFAOYSA-N
XLogP3.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
CID 86991697
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 90652784
N-[(1-benzylpyrazol-4-yl)methyl]-2-[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide
CID 26317007
1-[(1-benzylpyrazol-4-yl)methyl]-3-[(5-fluoro-2-methylphenyl)methyl]urea
CID 166331306
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 61272505
cis-(1R,3S)-3-[(1-benzylpyrazol-4-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065323
N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
CID 97156487
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide
CID 86809283
N-[(1-benzylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 86990835
2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide
CID 119291880

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide (CID 86990135) is N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCc2cnn(Cc3ccccc3)c2)cc1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide?
The InChIKey is RNMZLDCRUACAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-16-7-9-17(10-8-16)11-20(24)21-12-19-13-22-23(15-19)14-18-5-3-2-4-6-18/h2-10,13,15H,11-12,14H2,1H3,(H,21,24).
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide?
N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide has a molecular weight of 319.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 86990135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).