1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide

C19H19N3O4S — CID 48647201

IUPAC1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)NS(=O)(=O)c2ccccc2C)n1
InChIInChI=1S/C19H19N3O4S/c1-13-8-9-17(26-3)16(12-13)22-11-10-15(20-22)19(23)21-27(24,25)18-7-5-4-6-14(18)2/h4-12H,1-3H3,(H,21,23)
InChIKeyOKCZLCOXAYKLGK-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.62
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide

1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide (PubChem CID 48647201) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide
PubChem CID48647201
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)NS(=O)(=O)c2ccccc2C)n1
InChIInChI=1S/C19H19N3O4S/c1-13-8-9-17(26-3)16(12-13)22-11-10-15(20-22)19(23)21-27(24,25)18-7-5-4-6-14(18)2/h4-12H,1-3H3,(H,21,23)
InChIKeyOKCZLCOXAYKLGK-UHFFFAOYSA-N
XLogP2.62
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide (CID 48647201) is 1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide is COc1ccc(C)cc1-n1ccc(C(=O)NS(=O)(=O)c2ccccc2C)n1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide?
The InChIKey is OKCZLCOXAYKLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-13-8-9-17(26-3)16(12-13)22-11-10-15(20-22)19(23)21-27(24,25)18-7-5-4-6-14(18)2/h4-12H,1-3H3,(H,21,23).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide?
1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide is sourced from PubChem (CID 48647201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).