N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

C22H26N4O4S — CID 55606320

IUPACN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3C)c2C)cc1
InChIInChI=1S/C22H26N4O4S/c1-15-7-5-6-8-21(15)26-17(3)20(13-23-26)22(27)24-18-9-11-19(12-10-18)31(28,29)25-16(2)14-30-4/h5-13,16,25H,14H2,1-4H3,(H,24,27)
InChIKeyKHRUUDGHAXSKLP-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.05
Rot. Bonds8

About N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 55606320) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID55606320
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC NameN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3C)c2C)cc1
InChIInChI=1S/C22H26N4O4S/c1-15-7-5-6-8-21(15)26-17(3)20(13-23-26)22(27)24-18-9-11-19(12-10-18)31(28,29)25-16(2)14-30-4/h5-13,16,25H,14H2,1-4H3,(H,24,27)
InChIKeyKHRUUDGHAXSKLP-UHFFFAOYSA-N
XLogP3.05
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 47004794
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CID 39397805
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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 55606320) is N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide is COCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3C)c2C)cc1.
What is the InChIKey of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is KHRUUDGHAXSKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-15-7-5-6-8-21(15)26-17(3)20(13-23-26)22(27)24-18-9-11-19(12-10-18)31(28,29)25-16(2)14-30-4/h5-13,16,25H,14H2,1-4H3,(H,24,27).
What are the key properties of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55606320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).