4-[ethyl(pyridin-2-ylmethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid

C13H16N4O4S — CID 136572017

IUPAC4-[ethyl(pyridin-2-ylmethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCCN(Cc1ccccn1)S(=O)(=O)c1c(C(=O)O)n[nH]c1C
InChIInChI=1S/C13H16N4O4S/c1-3-17(8-10-6-4-5-7-14-10)22(20,21)12-9(2)15-16-11(12)13(18)19/h4-7H,3,8H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyBNYDGSIZPOFLAH-UHFFFAOYSA-N
MW324.36 g/mol
LogP1.02
Rot. Bonds6

About 4-[ethyl(pyridin-2-ylmethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid

4-[ethyl(pyridin-2-ylmethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 136572017) has the molecular formula C13H16N4O4S and a molecular weight of 324.36 g/mol. Its IUPAC name is 4-[ethyl(pyridin-2-ylmethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(pyridin-2-ylmethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
PubChem CID136572017
Molecular FormulaC13H16N4O4S
Molecular Weight324.36 g/mol
Exact Mass324.09
IUPAC Name4-[ethyl(pyridin-2-ylmethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCCN(Cc1ccccn1)S(=O)(=O)c1c(C(=O)O)n[nH]c1C
InChIInChI=1S/C13H16N4O4S/c1-3-17(8-10-6-4-5-7-14-10)22(20,21)12-9(2)15-16-11(12)13(18)19/h4-7H,3,8H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyBNYDGSIZPOFLAH-UHFFFAOYSA-N
XLogP1.02
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl(2-methylbutyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 79478150
3-[(2,6-dimethylphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]propanoic acid
CID 166266155
ethyl 2-[(2,3,4,5,6-pentamethylphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate
CID 3288655
2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 102189250
N,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide
CID 43091245
N-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)propane-1-sulfonamide
CID 71914419
3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631
3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 102189251
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993039
N-ethyl-2,3,5,6-tetramethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 23905703
N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide
CID 168810754
methyl 2-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)sulfamoyl]benzoate
CID 3827562

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(pyridin-2-ylmethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-[ethyl(pyridin-2-ylmethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid (CID 136572017) is 4-[ethyl(pyridin-2-ylmethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(pyridin-2-ylmethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(pyridin-2-ylmethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid is CCN(Cc1ccccn1)S(=O)(=O)c1c(C(=O)O)n[nH]c1C.
What is the InChIKey of 4-[ethyl(pyridin-2-ylmethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is BNYDGSIZPOFLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S/c1-3-17(8-10-6-4-5-7-14-10)22(20,21)12-9(2)15-16-11(12)13(18)19/h4-7H,3,8H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 4-[ethyl(pyridin-2-ylmethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
4-[ethyl(pyridin-2-ylmethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 324.36 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(pyridin-2-ylmethyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 136572017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).