1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide

C15H19N3O3S — CID 110357214

IUPAC1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCS(C)(=O)=O)nn2C)cc1
InChIInChI=1S/C15H19N3O3S/c1-11-4-6-12(7-5-11)14-10-13(17-18(14)2)15(19)16-8-9-22(3,20)21/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyZDIFTQGUXAERSK-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.17
Rot. Bonds5

About 1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide

1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide (PubChem CID 110357214) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
PubChem CID110357214
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCS(C)(=O)=O)nn2C)cc1
InChIInChI=1S/C15H19N3O3S/c1-11-4-6-12(7-5-11)14-10-13(17-18(14)2)15(19)16-8-9-22(3,20)21/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyZDIFTQGUXAERSK-UHFFFAOYSA-N
XLogP1.17
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dichlorophenyl)-1-methyl-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
CID 110357218
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336233
N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110356838
N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336121
1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide
CID 110307602
N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110309443
5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
CID 110306858
1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide
CID 110305501
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 110302750
1-methyl-5-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide
CID 110615827
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 110303367
5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 46977397

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide (CID 110357214) is 1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCCS(C)(=O)=O)nn2C)cc1.
What is the InChIKey of 1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide?
The InChIKey is ZDIFTQGUXAERSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-4-6-12(7-5-11)14-10-13(17-18(14)2)15(19)16-8-9-22(3,20)21/h4-7,10H,8-9H2,1-3H3,(H,16,19).
What are the key properties of 1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide?
1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110357214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).