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

C11H17N3O5S — CID 63712565

IUPAC5-[methyl(oxan-3-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCN(CC1CCCOC1)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C11H17N3O5S/c1-14(6-8-3-2-4-19-7-8)20(17,18)10-9(11(15)16)5-12-13-10/h5,8H,2-4,6-7H2,1H3,(H,12,13)(H,15,16)
InChIKeyIIRBSMKJYDTBGE-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.16
Rot. Bonds5

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

5-[methyl(oxan-3-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 63712565) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 5-[methyl(oxan-3-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(oxan-3-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID63712565
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name5-[methyl(oxan-3-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCN(CC1CCCOC1)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C11H17N3O5S/c1-14(6-8-3-2-4-19-7-8)20(17,18)10-9(11(15)16)5-12-13-10/h5,8H,2-4,6-7H2,1H3,(H,12,13)(H,15,16)
InChIKeyIIRBSMKJYDTBGE-UHFFFAOYSA-N
XLogP0.16
TPSA112.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 107397572
5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114948674
2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 63713763
5-(oxolan-3-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54931892
N-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide
CID 154739901
N-methyl-N-(oxan-3-ylmethyl)sulfamoyl chloride
CID 63726478
5-chloro-2-methyl-3-[methyl-[[(3R)-oxolan-3-yl]methyl]sulfamoyl]benzoic acid
CID 100688470
5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 93350476
N-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 63708062
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606386
N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63705715
5-[cyclohexyl(2-hydroxyethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60951851

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(oxan-3-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[methyl(oxan-3-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 63712565) is 5-[methyl(oxan-3-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[methyl(oxan-3-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[methyl(oxan-3-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is CN(CC1CCCOC1)S(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[methyl(oxan-3-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is IIRBSMKJYDTBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-14(6-8-3-2-4-19-7-8)20(17,18)10-9(11(15)16)5-12-13-10/h5,8H,2-4,6-7H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 5-[methyl(oxan-3-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[methyl(oxan-3-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(oxan-3-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 63712565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).