N-(2-methyl-5-methylsulfonylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide

C21H23N3O3S — CID 118725459

IUPACN-(2-methyl-5-methylsulfonylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)cnn1-c1ccccc1
InChIInChI=1S/C21H23N3O3S/c1-4-8-20-18(14-22-24(20)16-9-6-5-7-10-16)21(25)23-19-13-17(28(3,26)27)12-11-15(19)2/h5-7,9-14H,4,8H2,1-3H3,(H,23,25)
InChIKeyRKKAYCXPRLGXNH-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.79
Rot. Bonds6

About N-(2-methyl-5-methylsulfonylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide

N-(2-methyl-5-methylsulfonylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide (PubChem CID 118725459) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(2-methyl-5-methylsulfonylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-methylsulfonylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
PubChem CID118725459
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-(2-methyl-5-methylsulfonylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)cnn1-c1ccccc1
InChIInChI=1S/C21H23N3O3S/c1-4-8-20-18(14-22-24(20)16-9-6-5-7-10-16)21(25)23-19-13-17(28(3,26)27)12-11-15(19)2/h5-7,9-14H,4,8H2,1-3H3,(H,23,25)
InChIKeyRKKAYCXPRLGXNH-UHFFFAOYSA-N
XLogP3.79
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2812918
5-methyl-N-(2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 850355
N-(2-ethylphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850907
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 16386803
N-(5-fluoro-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
CID 118725454
1-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide
CID 118725461
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propyl-1-pyridin-3-ylpyrazole-4-carboxamide
CID 118725462
1-benzyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide
CID 118725463
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylpropyl)-5-propylpyrazole-4-carboxamide
CID 118725464
N-(4-fluoro-2-methylphenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811264
5-methyl-1-(3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide
CID 36656496
1,3-Diphenyl-1H-pyrazole-4-carboxylic acid (1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-amide
CID 649330

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide (CID 118725459) is N-(2-methyl-5-methylsulfonylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methyl-5-methylsulfonylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-methyl-5-methylsulfonylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)cnn1-c1ccccc1.
What is the InChIKey of N-(2-methyl-5-methylsulfonylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The InChIKey is RKKAYCXPRLGXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-4-8-20-18(14-22-24(20)16-9-6-5-7-10-16)21(25)23-19-13-17(28(3,26)27)12-11-15(19)2/h5-7,9-14H,4,8H2,1-3H3,(H,23,25).
What are the key properties of N-(2-methyl-5-methylsulfonylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
N-(2-methyl-5-methylsulfonylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-methylsulfonylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 118725459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).