1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide

C19H20N4O3S — CID 155542117

IUPAC1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H20N4O3S/c1-13(14-8-10-16(11-9-14)27(20,25)26)21-19(24)18-12-17(22-23(18)2)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,21,24)(H2,20,25,26)
InChIKeyCEQGIEBPVIOKCG-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.23
Rot. Bonds5

About 1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide

1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide (PubChem CID 155542117) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide
PubChem CID155542117
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H20N4O3S/c1-13(14-8-10-16(11-9-14)27(20,25)26)21-19(24)18-12-17(22-23(18)2)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,21,24)(H2,20,25,26)
InChIKeyCEQGIEBPVIOKCG-UHFFFAOYSA-N
XLogP2.23
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide (CID 155542117) is 1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide is CC(NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide?
The InChIKey is CEQGIEBPVIOKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-13(14-8-10-16(11-9-14)27(20,25)26)21-19(24)18-12-17(22-23(18)2)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,21,24)(H2,20,25,26).
What are the key properties of 1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide?
1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 155542117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).