5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid

C11H13N5O4S — CID 60912283

IUPAC5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCN(C)c1ncccc1NS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C11H13N5O4S/c1-16(2)9-8(4-3-5-12-9)15-21(19,20)10-7(11(17)18)6-13-14-10/h3-6,15H,1-2H3,(H,13,14)(H,17,18)
InChIKeyXBBVVXVNJPIQOF-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.37
Rot. Bonds5

About 5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 60912283) has the molecular formula C11H13N5O4S and a molecular weight of 311.32 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID60912283
Molecular FormulaC11H13N5O4S
Molecular Weight311.32 g/mol
Exact Mass311.07
IUPAC Name5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCN(C)c1ncccc1NS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C11H13N5O4S/c1-16(2)9-8(4-3-5-12-9)15-21(19,20)10-7(11(17)18)6-13-14-10/h3-6,15H,1-2H3,(H,13,14)(H,17,18)
InChIKeyXBBVVXVNJPIQOF-UHFFFAOYSA-N
XLogP0.37
TPSA128.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 61075738
5-[[2-(methylaminomethyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 61403636
5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934269
5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934211
5-[(2,3,4-trifluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911015
6-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide
CID 61053645
4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid
CID 43710941
N-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide
CID 86800776
5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 107787367
3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide
CID 61217643
methyl 5-(pyridin-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 23055541
5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54933878

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 60912283) is 5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid is CN(C)c1ncccc1NS(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is XBBVVXVNJPIQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4S/c1-16(2)9-8(4-3-5-12-9)15-21(19,20)10-7(11(17)18)6-13-14-10/h3-6,15H,1-2H3,(H,13,14)(H,17,18).
What are the key properties of 5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 311.32 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 60912283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).