N-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide

C13H15N3O3S — CID 63998428

IUPACN-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2cn[nH]c2C)cc1
InChIInChI=1S/C13H15N3O3S/c1-3-20(18,19)11-6-4-10(5-7-11)15-13(17)12-8-14-16-9(12)2/h4-8H,3H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJSMDPCBUJZEERB-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.76
Rot. Bonds4

About N-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 63998428) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID63998428
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2cn[nH]c2C)cc1
InChIInChI=1S/C13H15N3O3S/c1-3-20(18,19)11-6-4-10(5-7-11)15-13(17)12-8-14-16-9(12)2/h4-8H,3H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJSMDPCBUJZEERB-UHFFFAOYSA-N
XLogP1.76
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361
5-methyl-N-[4-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 106910350
5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-pyrazole-4-carboxamide
CID 106910470
N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 61066667
N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 61068685
N-(6-fluoro-3-pyridinyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103789931
N-(4-ethylsulfonylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 39862739
N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757426
N-(3-iodo-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63997812
2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide
CID 106853117
N-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
CID 42021503
N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998634

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 63998428) is N-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide is CCS(=O)(=O)c1ccc(NC(=O)c2cn[nH]c2C)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is JSMDPCBUJZEERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-3-20(18,19)11-6-4-10(5-7-11)15-13(17)12-8-14-16-9(12)2/h4-8H,3H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63998428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).