1-[4-(dimethylsulfamoyl)phenyl]-3-methyl-5-oxo-N-phenyl-4H-pyrazole-4-carboxamide

C19H20N4O4S — CID 139433355

IUPAC1-[4-(dimethylsulfamoyl)phenyl]-3-methyl-5-oxo-N-phenyl-4H-pyrazole-4-carboxamide
SMILESCC1=NN(c2ccc(S(=O)(=O)N(C)C)cc2)C(=O)C1C(=O)Nc1ccccc1
InChIInChI=1S/C19H20N4O4S/c1-13-17(18(24)20-14-7-5-4-6-8-14)19(25)23(21-13)15-9-11-16(12-10-15)28(26,27)22(2)3/h4-12,17H,1-3H3,(H,20,24)
InChIKeyZVVARFRVIMLEAM-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.91
Rot. Bonds5

About 1-[4-(dimethylsulfamoyl)phenyl]-3-methyl-5-oxo-N-phenyl-4H-pyrazole-4-carboxamide

1-[4-(dimethylsulfamoyl)phenyl]-3-methyl-5-oxo-N-phenyl-4H-pyrazole-4-carboxamide (PubChem CID 139433355) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-[4-(dimethylsulfamoyl)phenyl]-3-methyl-5-oxo-N-phenyl-4H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylsulfamoyl)phenyl]-3-methyl-5-oxo-N-phenyl-4H-pyrazole-4-carboxamide
PubChem CID139433355
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name1-[4-(dimethylsulfamoyl)phenyl]-3-methyl-5-oxo-N-phenyl-4H-pyrazole-4-carboxamide
SMILESCC1=NN(c2ccc(S(=O)(=O)N(C)C)cc2)C(=O)C1C(=O)Nc1ccccc1
InChIInChI=1S/C19H20N4O4S/c1-13-17(18(24)20-14-7-5-4-6-8-14)19(25)23(21-13)15-9-11-16(12-10-15)28(26,27)22(2)3/h4-12,17H,1-3H3,(H,20,24)
InChIKeyZVVARFRVIMLEAM-UHFFFAOYSA-N
XLogP1.91
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-oxo-1-phenyl-N-pyridin-4-yl-4H-pyrazole-4-carboxamide
CID 139433268
3-methyl-5-oxo-1-phenyl-N-(3-pyrimidin-5-ylphenyl)-4H-pyrazole-4-carboxamide
CID 139433221
N-(2,4-difluorophenyl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide
CID 51107848
4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one;hydrate
CID 19354458
3-methyl-5-oxo-N-(3-oxo-1H-2-benzofuran-5-yl)-1-phenyl-4H-pyrazole-4-carboxamide
CID 139433237
N-(5-ethylthiophen-2-yl)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide
CID 139443009
N-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 85025747
(4S)-4-butanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 124577603
1-[(E)-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-phenylmethylidene]amino]-3-phenylthiourea
CID 6016789
1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea
CID 15716439
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
(4R)-4-(furan-2-carbonyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 821635

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylsulfamoyl)phenyl]-3-methyl-5-oxo-N-phenyl-4H-pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(dimethylsulfamoyl)phenyl]-3-methyl-5-oxo-N-phenyl-4H-pyrazole-4-carboxamide (CID 139433355) is 1-[4-(dimethylsulfamoyl)phenyl]-3-methyl-5-oxo-N-phenyl-4H-pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(dimethylsulfamoyl)phenyl]-3-methyl-5-oxo-N-phenyl-4H-pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(dimethylsulfamoyl)phenyl]-3-methyl-5-oxo-N-phenyl-4H-pyrazole-4-carboxamide is CC1=NN(c2ccc(S(=O)(=O)N(C)C)cc2)C(=O)C1C(=O)Nc1ccccc1.
What is the InChIKey of 1-[4-(dimethylsulfamoyl)phenyl]-3-methyl-5-oxo-N-phenyl-4H-pyrazole-4-carboxamide?
The InChIKey is ZVVARFRVIMLEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-13-17(18(24)20-14-7-5-4-6-8-14)19(25)23(21-13)15-9-11-16(12-10-15)28(26,27)22(2)3/h4-12,17H,1-3H3,(H,20,24).
What are the key properties of 1-[4-(dimethylsulfamoyl)phenyl]-3-methyl-5-oxo-N-phenyl-4H-pyrazole-4-carboxamide?
1-[4-(dimethylsulfamoyl)phenyl]-3-methyl-5-oxo-N-phenyl-4H-pyrazole-4-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylsulfamoyl)phenyl]-3-methyl-5-oxo-N-phenyl-4H-pyrazole-4-carboxamide is sourced from PubChem (CID 139433355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).