N-methyl-N-[(2-methylphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide

C20H21N3O — CID 9379054

IUPACN-methyl-N-[(2-methylphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc(-n2nccc2C)cc1
InChIInChI=1S/C20H21N3O/c1-15-6-4-5-7-18(15)14-22(3)20(24)17-8-10-19(11-9-17)23-16(2)12-13-21-23/h4-13H,14H2,1-3H3
InChIKeyUCCSXLFQMUTKJQ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.76
Rot. Bonds4

About N-methyl-N-[(2-methylphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide

N-methyl-N-[(2-methylphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide (PubChem CID 9379054) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-methyl-N-[(2-methylphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
PubChem CID9379054
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-methyl-N-[(2-methylphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc(-n2nccc2C)cc1
InChIInChI=1S/C20H21N3O/c1-15-6-4-5-7-18(15)14-22(3)20(24)17-8-10-19(11-9-17)23-16(2)12-13-21-23/h4-13H,14H2,1-3H3
InChIKeyUCCSXLFQMUTKJQ-UHFFFAOYSA-N
XLogP3.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide
CID 31361004
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide
CID 9426110
4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028521
methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate
CID 9368938
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18114053
4-(ethylamino)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 62175917
N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 9368880
4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 51098556
N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide
CID 27827757
N,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 56817769
N-[2-(dimethylamino)-2-oxoethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9481086

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide (CID 9379054) is N-methyl-N-[(2-methylphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-methyl-N-[(2-methylphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-methyl-N-[(2-methylphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide is Cc1ccccc1CN(C)C(=O)c1ccc(-n2nccc2C)cc1.
What is the InChIKey of N-methyl-N-[(2-methylphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide?
The InChIKey is UCCSXLFQMUTKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15-6-4-5-7-18(15)14-22(3)20(24)17-8-10-19(11-9-17)23-16(2)12-13-21-23/h4-13H,14H2,1-3H3.
What are the key properties of N-methyl-N-[(2-methylphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide?
N-methyl-N-[(2-methylphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide has a molecular weight of 319.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 9379054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).