1-tert-butyl-3,5-dimethyl-N-(4-methyl-3-sulfamoylphenyl)pyrazole-4-carboxamide

C17H24N4O3S — CID 51117905

IUPAC1-tert-butyl-3,5-dimethyl-N-(4-methyl-3-sulfamoylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)nn(C(C)(C)C)c2C)cc1S(N)(=O)=O
InChIInChI=1S/C17H24N4O3S/c1-10-7-8-13(9-14(10)25(18,23)24)19-16(22)15-11(2)20-21(12(15)3)17(4,5)6/h7-9H,1-6H3,(H,19,22)(H2,18,23,24)
InChIKeyNNSKEWXXSSLIQO-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.46
Rot. Bonds3

About 1-tert-butyl-3,5-dimethyl-N-(4-methyl-3-sulfamoylphenyl)pyrazole-4-carboxamide

1-tert-butyl-3,5-dimethyl-N-(4-methyl-3-sulfamoylphenyl)pyrazole-4-carboxamide (PubChem CID 51117905) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-tert-butyl-3,5-dimethyl-N-(4-methyl-3-sulfamoylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-3,5-dimethyl-N-(4-methyl-3-sulfamoylphenyl)pyrazole-4-carboxamide
PubChem CID51117905
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name1-tert-butyl-3,5-dimethyl-N-(4-methyl-3-sulfamoylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)nn(C(C)(C)C)c2C)cc1S(N)(=O)=O
InChIInChI=1S/C17H24N4O3S/c1-10-7-8-13(9-14(10)25(18,23)24)19-16(22)15-11(2)20-21(12(15)3)17(4,5)6/h7-9H,1-6H3,(H,19,22)(H2,18,23,24)
InChIKeyNNSKEWXXSSLIQO-UHFFFAOYSA-N
XLogP2.46
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,5-dimethyl-N-(4-methyl-3-sulfamoylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-3,5-dimethyl-N-(4-methyl-3-sulfamoylphenyl)pyrazole-4-carboxamide (CID 51117905) is 1-tert-butyl-3,5-dimethyl-N-(4-methyl-3-sulfamoylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-3,5-dimethyl-N-(4-methyl-3-sulfamoylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-3,5-dimethyl-N-(4-methyl-3-sulfamoylphenyl)pyrazole-4-carboxamide is Cc1ccc(NC(=O)c2c(C)nn(C(C)(C)C)c2C)cc1S(N)(=O)=O.
What is the InChIKey of 1-tert-butyl-3,5-dimethyl-N-(4-methyl-3-sulfamoylphenyl)pyrazole-4-carboxamide?
The InChIKey is NNSKEWXXSSLIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-10-7-8-13(9-14(10)25(18,23)24)19-16(22)15-11(2)20-21(12(15)3)17(4,5)6/h7-9H,1-6H3,(H,19,22)(H2,18,23,24).
What are the key properties of 1-tert-butyl-3,5-dimethyl-N-(4-methyl-3-sulfamoylphenyl)pyrazole-4-carboxamide?
1-tert-butyl-3,5-dimethyl-N-(4-methyl-3-sulfamoylphenyl)pyrazole-4-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,5-dimethyl-N-(4-methyl-3-sulfamoylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 51117905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).