N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide

C20H21ClN4O3S — CID 22315560

IUPACN-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C20H21ClN4O3S/c1-20(2,3)23-19(26)17-12-18(13-4-6-14(21)7-5-13)25(24-17)15-8-10-16(11-9-15)29(22,27)28/h4-12H,1-3H3,(H,23,26)(H2,22,27,28)
InChIKeyBRKYAWFQODHPNU-UHFFFAOYSA-N
MW432.93 g/mol
LogP3.37
Rot. Bonds4

About N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide

N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 22315560) has the molecular formula C20H21ClN4O3S and a molecular weight of 432.93 g/mol. Its IUPAC name is N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID22315560
Molecular FormulaC20H21ClN4O3S
Molecular Weight432.93 g/mol
Exact Mass432.10
IUPAC NameN-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C20H21ClN4O3S/c1-20(2,3)23-19(26)17-12-18(13-4-6-14(21)7-5-13)25(24-17)15-8-10-16(11-9-15)29(22,27)28/h4-12H,1-3H3,(H,23,26)(H2,22,27,28)
InChIKeyBRKYAWFQODHPNU-UHFFFAOYSA-N
XLogP3.37
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (CID 22315560) is N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is CC(C)(C)NC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is BRKYAWFQODHPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3S/c1-20(2,3)23-19(26)17-12-18(13-4-6-14(21)7-5-13)25(24-17)15-8-10-16(11-9-15)29(22,27)28/h4-12H,1-3H3,(H,23,26)(H2,22,27,28).
What are the key properties of N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 432.93 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 22315560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).