1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide

C20H21N3O2 — CID 9042189

IUPAC1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1
InChIInChI=1S/C20H21N3O2/c1-14-19(20(24)21-17-9-11-18(25-3)12-10-17)15(2)23(22-14)13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyXTUBAOVTOFHMTL-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.81
Rot. Bonds5

About 1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide

1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 9042189) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID9042189
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1
InChIInChI=1S/C20H21N3O2/c1-14-19(20(24)21-17-9-11-18(25-3)12-10-17)15(2)23(22-14)13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyXTUBAOVTOFHMTL-UHFFFAOYSA-N
XLogP3.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9042194
1-benzyl-3,5-dimethyl-N-(4-methylsulfanylphenyl)pyrazole-4-carboxamide
CID 9179547
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518
1-benzyl-N-[3-(carbamoylamino)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 55539291
methyl 4-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]benzoate
CID 9068802
1-benzyl-N-[(4-methoxyphenyl)methyl]-N,3,5-trimethylpyrazole-4-carboxamide
CID 29219521
N-(1,3-benzodioxol-5-yl)-1-benzyl-3,5-dimethylpyrazole-4-carboxamide
CID 9036918
N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9208102
1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9269723
[2-(4-methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 7690785
1-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 9270355
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-methoxynaphthalene-2-carboxamide
CID 167835152

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide (CID 9042189) is 1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1.
What is the InChIKey of 1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is XTUBAOVTOFHMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-19(20(24)21-17-9-11-18(25-3)12-10-17)15(2)23(22-14)13-16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,21,24).
What are the key properties of 1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide?
1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 9042189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).