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

C20H30N4O3S — CID 118725464

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylpropyl)-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cnn1CC(C)C
InChIInChI=1S/C20H30N4O3S/c1-7-8-19-17(12-21-24(19)13-14(2)3)20(25)22-18-11-16(10-9-15(18)4)28(26,27)23(5)6/h9-12,14H,7-8,13H2,1-6H3,(H,22,25)
InChIKeyHFGRAKDMNWVZMT-UHFFFAOYSA-N
MW406.55 g/mol
LogP3.30
Rot. Bonds8

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

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylpropyl)-5-propylpyrazole-4-carboxamide (PubChem CID 118725464) has the molecular formula C20H30N4O3S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylpropyl)-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylpropyl)-5-propylpyrazole-4-carboxamide
PubChem CID118725464
Molecular FormulaC20H30N4O3S
Molecular Weight406.55 g/mol
Exact Mass406.20
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylpropyl)-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cnn1CC(C)C
InChIInChI=1S/C20H30N4O3S/c1-7-8-19-17(12-21-24(19)13-14(2)3)20(25)22-18-11-16(10-9-15(18)4)28(26,27)23(5)6/h9-12,14H,7-8,13H2,1-6H3,(H,22,25)
InChIKeyHFGRAKDMNWVZMT-UHFFFAOYSA-N
XLogP3.30
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 53.30
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-(2-methylpropyl)-5-propylpyrazole-4-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylpropyl)-5-propylpyrazole-4-carboxamide (CID 118725464) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylpropyl)-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylpropyl)-5-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylpropyl)-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cnn1CC(C)C.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylpropyl)-5-propylpyrazole-4-carboxamide?
The InChIKey is HFGRAKDMNWVZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3S/c1-7-8-19-17(12-21-24(19)13-14(2)3)20(25)22-18-11-16(10-9-15(18)4)28(26,27)23(5)6/h9-12,14H,7-8,13H2,1-6H3,(H,22,25).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylpropyl)-5-propylpyrazole-4-carboxamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(2-methylpropyl)-5-propylpyrazole-4-carboxamide has a molecular weight of 406.55 g/mol, XLogP of 3.30, 8 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-(2-methylpropyl)-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 118725464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).