1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide

C14H18N4O3S — CID 34644882

IUPAC1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2cnn(C)c2C)c1
InChIInChI=1S/C14H18N4O3S/c1-10-13(9-17-18(10)3)14(19)16-8-11-5-4-6-12(7-11)22(20,21)15-2/h4-7,9,15H,8H2,1-3H3,(H,16,19)
InChIKeyOQUFWNLKXOZTNK-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.57
Rot. Bonds5

About 1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide

1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 34644882) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID34644882
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2cnn(C)c2C)c1
InChIInChI=1S/C14H18N4O3S/c1-10-13(9-17-18(10)3)14(19)16-8-11-5-4-6-12(7-11)22(20,21)15-2/h4-7,9,15H,8H2,1-3H3,(H,16,19)
InChIKeyOQUFWNLKXOZTNK-UHFFFAOYSA-N
XLogP0.57
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide (CID 34644882) is 1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide is CNS(=O)(=O)c1cccc(CNC(=O)c2cnn(C)c2C)c1.
What is the InChIKey of 1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is OQUFWNLKXOZTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-10-13(9-17-18(10)3)14(19)16-8-11-5-4-6-12(7-11)22(20,21)15-2/h4-7,9,15H,8H2,1-3H3,(H,16,19).
What are the key properties of 1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide?
1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 34644882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).