N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C20H30N4O3S — CID 55738737

IUPACN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cc(CC(C)C)[nH]n2)cc1
InChIInChI=1S/C20H30N4O3S/c1-6-24(7-2)28(26,27)18-10-8-16(9-11-18)15(5)21-20(25)19-13-17(22-23-19)12-14(3)4/h8-11,13-15H,6-7,12H2,1-5H3,(H,21,25)(H,22,23)
InChIKeyNOZUOQDSVFYPFN-UHFFFAOYSA-N
MW406.55 g/mol
LogP3.13
Rot. Bonds9

About N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 55738737) has the molecular formula C20H30N4O3S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID55738737
Molecular FormulaC20H30N4O3S
Molecular Weight406.55 g/mol
Exact Mass406.20
IUPAC NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cc(CC(C)C)[nH]n2)cc1
InChIInChI=1S/C20H30N4O3S/c1-6-24(7-2)28(26,27)18-10-8-16(9-11-18)15(5)21-20(25)19-13-17(22-23-19)12-14(3)4/h8-11,13-15H,6-7,12H2,1-5H3,(H,21,25)(H,22,23)
InChIKeyNOZUOQDSVFYPFN-UHFFFAOYSA-N
XLogP3.13
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 55738737) is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cc(CC(C)C)[nH]n2)cc1.
What is the InChIKey of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is NOZUOQDSVFYPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3S/c1-6-24(7-2)28(26,27)18-10-8-16(9-11-18)15(5)21-20(25)19-13-17(22-23-19)12-14(3)4/h8-11,13-15H,6-7,12H2,1-5H3,(H,21,25)(H,22,23).
What are the key properties of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 406.55 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55738737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).