3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide

C19H19N3O4S — CID 146154275

IUPAC3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NS(C)(=O)=O)c1
InChIInChI=1S/C19H19N3O4S/c1-13-7-9-15(10-8-13)22-12-17(19(23)21-27(3,24)25)18(20-22)14-5-4-6-16(11-14)26-2/h4-12H,1-3H3,(H,21,23)
InChIKeyVEFPMNLTBGJMOW-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.55
Rot. Bonds5

About 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide

3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide (PubChem CID 146154275) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide
PubChem CID146154275
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NS(C)(=O)=O)c1
InChIInChI=1S/C19H19N3O4S/c1-13-7-9-15(10-8-13)22-12-17(19(23)21-27(3,24)25)18(20-22)14-5-4-6-16(11-14)26-2/h4-12H,1-3H3,(H,21,23)
InChIKeyVEFPMNLTBGJMOW-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-acetamidoethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 26308914
N-(2-hydroxypropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78802788
N-(4-ethylsulfonylphenyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 39862810
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide
CID 146154633
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-pyridin-2-ylpyrazole-4-carboxamide
CID 43016731
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46797403
N-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119998111
3-(3-methoxyphenyl)-N-[4-(methylcarbamoyl)cyclohexyl]-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 47083532
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methanone
CID 27660802
N-(2-amino-1-cyclopropylethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119616115
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46510476
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-carboxamide
CID 43062299

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide (CID 146154275) is 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide is COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NS(C)(=O)=O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide?
The InChIKey is VEFPMNLTBGJMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-13-7-9-15(10-8-13)22-12-17(19(23)21-27(3,24)25)18(20-22)14-5-4-6-16(11-14)26-2/h4-12H,1-3H3,(H,21,23).
What are the key properties of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide?
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide is sourced from PubChem (CID 146154275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).