N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide

C13H15N3O4S — CID 19475773

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccnn2C)c1
InChIInChI=1S/C13H15N3O4S/c1-3-21(19,20)9-4-5-12(17)10(8-9)15-13(18)11-6-7-14-16(11)2/h4-8,17H,3H2,1-2H3,(H,15,18)
InChIKeyKIYKKIUDSHRQNM-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.17
Rot. Bonds4

About N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 19475773) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide
PubChem CID19475773
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccnn2C)c1
InChIInChI=1S/C13H15N3O4S/c1-3-21(19,20)9-4-5-12(17)10(8-9)15-13(18)11-6-7-14-16(11)2/h4-8,17H,3H2,1-2H3,(H,15,18)
InChIKeyKIYKKIUDSHRQNM-UHFFFAOYSA-N
XLogP1.17
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-ethylsulfonyl-2-hydroxyphenyl)-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478569
N-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61131082
4-chloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19477146
N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129736
4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 31618431
N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129598
N-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 46523475
methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate
CID 71211128
3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 62920806
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide
CID 78794976
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 4843950
2,4-dichloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-fluorobenzamide
CID 51206951

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide (CID 19475773) is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccnn2C)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is KIYKKIUDSHRQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-3-21(19,20)9-4-5-12(17)10(8-9)15-13(18)11-6-7-14-16(11)2/h4-8,17H,3H2,1-2H3,(H,15,18).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19475773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).