4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide

C21H23N3O3S — CID 48984995

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1
InChIInChI=1S/C21H23N3O3S/c1-4-28(26,27)20-11-9-19(10-12-20)22-21(25)18-7-5-17(6-8-18)14-24-16(3)13-15(2)23-24/h5-13H,4,14H2,1-3H3,(H,22,25)
InChIKeyYEEBSSOGYKVZDJ-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.59
Rot. Bonds6

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide (PubChem CID 48984995) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide
PubChem CID48984995
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1
InChIInChI=1S/C21H23N3O3S/c1-4-28(26,27)20-11-9-19(10-12-20)22-21(25)18-7-5-17(6-8-18)14-24-16(3)13-15(2)23-24/h5-13H,4,14H2,1-3H3,(H,22,25)
InChIKeyYEEBSSOGYKVZDJ-UHFFFAOYSA-N
XLogP3.59
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 94872709
N-(4-carbamoylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 48980777
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
CID 49016835
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide
CID 48985971
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 48980515
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(2-methylpropylsulfamoyl)benzamide
CID 86901731
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100548495
N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 58930508
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 22205094
N-(3-anilino-3-oxopropyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 131903962
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 100586215

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide (CID 48984995) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide is CCS(=O)(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide?
The InChIKey is YEEBSSOGYKVZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-4-28(26,27)20-11-9-19(10-12-20)22-21(25)18-7-5-17(6-8-18)14-24-16(3)13-15(2)23-24/h5-13H,4,14H2,1-3H3,(H,22,25).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide has a molecular weight of 397.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide is sourced from PubChem (CID 48984995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).