N-(dimethylsulfamoyl)-1-pyridin-3-ylpyrazole-4-carboxamide

C11H13N5O3S — CID 53482979

IUPACN-(dimethylsulfamoyl)-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCN(C)S(=O)(=O)NC(=O)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C11H13N5O3S/c1-15(2)20(18,19)14-11(17)9-6-13-16(8-9)10-4-3-5-12-7-10/h3-8H,1-2H3,(H,14,17)
InChIKeyXSSFSDAIXCKIIL-UHFFFAOYSA-N
MW295.32 g/mol
LogP-0.20
Rot. Bonds4

About N-(dimethylsulfamoyl)-1-pyridin-3-ylpyrazole-4-carboxamide

N-(dimethylsulfamoyl)-1-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 53482979) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-1-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-1-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID53482979
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC NameN-(dimethylsulfamoyl)-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCN(C)S(=O)(=O)NC(=O)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C11H13N5O3S/c1-15(2)20(18,19)14-11(17)9-6-13-16(8-9)10-4-3-5-12-7-10/h3-8H,1-2H3,(H,14,17)
InChIKeyXSSFSDAIXCKIIL-UHFFFAOYSA-N
XLogP-0.20
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-(dimethylsulfamoyl)-1-pyridin-3-ylpyrazole-4-carboxamide (CID 53482979) is N-(dimethylsulfamoyl)-1-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(dimethylsulfamoyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(dimethylsulfamoyl)-1-pyridin-3-ylpyrazole-4-carboxamide is CN(C)S(=O)(=O)NC(=O)c1cnn(-c2cccnc2)c1.
What is the InChIKey of N-(dimethylsulfamoyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is XSSFSDAIXCKIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-15(2)20(18,19)14-11(17)9-6-13-16(8-9)10-4-3-5-12-7-10/h3-8H,1-2H3,(H,14,17).
What are the key properties of N-(dimethylsulfamoyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
N-(dimethylsulfamoyl)-1-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 295.32 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-1-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 53482979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).