N-(dimethylsulfamoyl)-1-(5-fluoro-3-pyridinyl)pyrazole-4-carboxamide

C11H12FN5O3S — CID 53472860

IUPACN-(dimethylsulfamoyl)-1-(5-fluoro-3-pyridinyl)pyrazole-4-carboxamide
SMILESCN(C)S(=O)(=O)NC(=O)c1cnn(-c2cncc(F)c2)c1
InChIInChI=1S/C11H12FN5O3S/c1-16(2)21(19,20)15-11(18)8-4-14-17(7-8)10-3-9(12)5-13-6-10/h3-7H,1-2H3,(H,15,18)
InChIKeyNNDBXZMRBQKTIA-UHFFFAOYSA-N
MW313.31 g/mol
LogP-0.06
Rot. Bonds4

About N-(dimethylsulfamoyl)-1-(5-fluoro-3-pyridinyl)pyrazole-4-carboxamide

N-(dimethylsulfamoyl)-1-(5-fluoro-3-pyridinyl)pyrazole-4-carboxamide (PubChem CID 53472860) has the molecular formula C11H12FN5O3S and a molecular weight of 313.31 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-1-(5-fluoro-3-pyridinyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-1-(5-fluoro-3-pyridinyl)pyrazole-4-carboxamide
PubChem CID53472860
Molecular FormulaC11H12FN5O3S
Molecular Weight313.31 g/mol
Exact Mass313.06
IUPAC NameN-(dimethylsulfamoyl)-1-(5-fluoro-3-pyridinyl)pyrazole-4-carboxamide
SMILESCN(C)S(=O)(=O)NC(=O)c1cnn(-c2cncc(F)c2)c1
InChIInChI=1S/C11H12FN5O3S/c1-16(2)21(19,20)15-11(18)8-4-14-17(7-8)10-3-9(12)5-13-6-10/h3-7H,1-2H3,(H,15,18)
InChIKeyNNDBXZMRBQKTIA-UHFFFAOYSA-N
XLogP-0.06
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-1-(5-fluoro-3-pyridinyl)pyrazole-4-carboxamide?
The IUPAC name of N-(dimethylsulfamoyl)-1-(5-fluoro-3-pyridinyl)pyrazole-4-carboxamide (CID 53472860) is N-(dimethylsulfamoyl)-1-(5-fluoro-3-pyridinyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(dimethylsulfamoyl)-1-(5-fluoro-3-pyridinyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(dimethylsulfamoyl)-1-(5-fluoro-3-pyridinyl)pyrazole-4-carboxamide is CN(C)S(=O)(=O)NC(=O)c1cnn(-c2cncc(F)c2)c1.
What is the InChIKey of N-(dimethylsulfamoyl)-1-(5-fluoro-3-pyridinyl)pyrazole-4-carboxamide?
The InChIKey is NNDBXZMRBQKTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O3S/c1-16(2)21(19,20)15-11(18)8-4-14-17(7-8)10-3-9(12)5-13-6-10/h3-7H,1-2H3,(H,15,18).
What are the key properties of N-(dimethylsulfamoyl)-1-(5-fluoro-3-pyridinyl)pyrazole-4-carboxamide?
N-(dimethylsulfamoyl)-1-(5-fluoro-3-pyridinyl)pyrazole-4-carboxamide has a molecular weight of 313.31 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-1-(5-fluoro-3-pyridinyl)pyrazole-4-carboxamide is sourced from PubChem (CID 53472860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).