N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide

C22H26N4O3S — CID 2812918

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cnn1-c1ccccc1
InChIInChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)
InChIKeyMOBKKWWSLMVASV-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.64
Rot. Bonds7

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide (PubChem CID 2812918) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide
PubChem CID2812918
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cnn1-c1ccccc1
InChIInChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)
InChIKeyMOBKKWWSLMVASV-UHFFFAOYSA-N
XLogP3.64
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide (CID 2812918) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cnn1-c1ccccc1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide?
The InChIKey is MOBKKWWSLMVASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 2812918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).