2-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide

C25H25N5O3S — CID 86766214

IUPAC2-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESCN(C)c1ccc(-c2cc(-c3ccccc3)nn2CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C25H25N5O3S/c1-29(2)21-12-8-19(9-13-21)24-16-23(18-6-4-3-5-7-18)28-30(24)17-25(31)27-20-10-14-22(15-11-20)34(26,32)33/h3-16H,17H2,1-2H3,(H,27,31)(H2,26,32,33)
InChIKeyNRMRHFBJZXWBMC-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.57
Rot. Bonds7

About 2-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide

2-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 86766214) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is 2-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID86766214
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC Name2-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESCN(C)c1ccc(-c2cc(-c3ccccc3)nn2CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C25H25N5O3S/c1-29(2)21-12-8-19(9-13-21)24-16-23(18-6-4-3-5-7-18)28-30(24)17-25(31)27-20-10-14-22(15-11-20)34(26,32)33/h3-16H,17H2,1-2H3,(H,27,31)(H2,26,32,33)
InChIKeyNRMRHFBJZXWBMC-UHFFFAOYSA-N
XLogP3.57
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-(5-Phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl)propyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 52951990
1-[3-(aminomethyl)phenyl]-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 10769476
4-{5-Phenyl-3-[3-(3-phenyl-ureido)-propyl]-pyrazol-1-yl}-benzenesulfonamide
CID 52951863
3-methyl-1-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 9824122
N-(3,4-dimethylphenyl)-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 2559924
2-(5-(2-Fluorophenyl)-3-phenyl-1H-pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (12)
CID 86766211
2-(5-(4-Fluorophenyl)-3-phenyl-1H-pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (16)
CID 86766215
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,5-trimethyl-N-(4-methylphenyl)pyrazole-4-sulfonamide
CID 5309115
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 9550907
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 9551544
1,3,5-Trimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-YL)ethyl]-N-[4-(propan-2-YL)phenyl]-1H-pyrazole-4-sulfonamide
CID 16009277
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(1-phenylethyl)acetamide
CID 20855710

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide (CID 86766214) is 2-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide is CN(C)c1ccc(-c2cc(-c3ccccc3)nn2CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is NRMRHFBJZXWBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-29(2)21-12-8-19(9-13-21)24-16-23(18-6-4-3-5-7-18)28-30(24)17-25(31)27-20-10-14-22(15-11-20)34(26,32)33/h3-16H,17H2,1-2H3,(H,27,31)(H2,26,32,33).
What are the key properties of 2-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide?
2-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 475.57 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 86766214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).