5,5-dimethyl-N-(2-methylphenyl)sulfonyl-4H-pyrazole-1-carboxamide

C13H17N3O3S — CID 23050778

IUPAC5,5-dimethyl-N-(2-methylphenyl)sulfonyl-4H-pyrazole-1-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)N1N=CCC1(C)C
InChIInChI=1S/C13H17N3O3S/c1-10-6-4-5-7-11(10)20(18,19)15-12(17)16-13(2,3)8-9-14-16/h4-7,9H,8H2,1-3H3,(H,15,17)
InChIKeyPYFIYYUAXPSKAU-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.86
Rot. Bonds2

About 5,5-dimethyl-N-(2-methylphenyl)sulfonyl-4H-pyrazole-1-carboxamide

5,5-dimethyl-N-(2-methylphenyl)sulfonyl-4H-pyrazole-1-carboxamide (PubChem CID 23050778) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 5,5-dimethyl-N-(2-methylphenyl)sulfonyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound Name5,5-dimethyl-N-(2-methylphenyl)sulfonyl-4H-pyrazole-1-carboxamide
PubChem CID23050778
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name5,5-dimethyl-N-(2-methylphenyl)sulfonyl-4H-pyrazole-1-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)N1N=CCC1(C)C
InChIInChI=1S/C13H17N3O3S/c1-10-6-4-5-7-11(10)20(18,19)15-12(17)16-13(2,3)8-9-14-16/h4-7,9H,8H2,1-3H3,(H,15,17)
InChIKeyPYFIYYUAXPSKAU-UHFFFAOYSA-N
XLogP1.86
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(2-methylphenyl)sulfonyl-4H-pyrazole-1-carboxamide?
The IUPAC name of 5,5-dimethyl-N-(2-methylphenyl)sulfonyl-4H-pyrazole-1-carboxamide (CID 23050778) is 5,5-dimethyl-N-(2-methylphenyl)sulfonyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for 5,5-dimethyl-N-(2-methylphenyl)sulfonyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for 5,5-dimethyl-N-(2-methylphenyl)sulfonyl-4H-pyrazole-1-carboxamide is Cc1ccccc1S(=O)(=O)NC(=O)N1N=CCC1(C)C.
What is the InChIKey of 5,5-dimethyl-N-(2-methylphenyl)sulfonyl-4H-pyrazole-1-carboxamide?
The InChIKey is PYFIYYUAXPSKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-10-6-4-5-7-11(10)20(18,19)15-12(17)16-13(2,3)8-9-14-16/h4-7,9H,8H2,1-3H3,(H,15,17).
What are the key properties of 5,5-dimethyl-N-(2-methylphenyl)sulfonyl-4H-pyrazole-1-carboxamide?
5,5-dimethyl-N-(2-methylphenyl)sulfonyl-4H-pyrazole-1-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(2-methylphenyl)sulfonyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 23050778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).