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

C14H15Cl2N3O3S — CID 110357218

IUPAC5-(3,4-dichlorophenyl)-1-methyl-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCS(C)(=O)=O)cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2N3O3S/c1-19-13(9-3-4-10(15)11(16)7-9)8-12(18-19)14(20)17-5-6-23(2,21)22/h3-4,7-8H,5-6H2,1-2H3,(H,17,20)
InChIKeyADPRTBVFWCKDKU-UHFFFAOYSA-N
MW376.27 g/mol
LogP2.17
Rot. Bonds5

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

5-(3,4-dichlorophenyl)-1-methyl-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide (PubChem CID 110357218) has the molecular formula C14H15Cl2N3O3S and a molecular weight of 376.27 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1-methyl-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1-methyl-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
PubChem CID110357218
Molecular FormulaC14H15Cl2N3O3S
Molecular Weight376.27 g/mol
Exact Mass375.02
IUPAC Name5-(3,4-dichlorophenyl)-1-methyl-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCS(C)(=O)=O)cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2N3O3S/c1-19-13(9-3-4-10(15)11(16)7-9)8-12(18-19)14(20)17-5-6-23(2,21)22/h3-4,7-8H,5-6H2,1-2H3,(H,17,20)
InChIKeyADPRTBVFWCKDKU-UHFFFAOYSA-N
XLogP2.17
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-1-methyl-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(3,4-dichlorophenyl)-1-methyl-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide (CID 110357218) is 5-(3,4-dichlorophenyl)-1-methyl-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1-methyl-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1-methyl-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)NCCS(C)(=O)=O)cc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1-methyl-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide?
The InChIKey is ADPRTBVFWCKDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O3S/c1-19-13(9-3-4-10(15)11(16)7-9)8-12(18-19)14(20)17-5-6-23(2,21)22/h3-4,7-8H,5-6H2,1-2H3,(H,17,20).
What are the key properties of 5-(3,4-dichlorophenyl)-1-methyl-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide?
5-(3,4-dichlorophenyl)-1-methyl-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide has a molecular weight of 376.27 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-1-methyl-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110357218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).