5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid

C11H17N3O6S — CID 114948674

IUPAC5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCN(CC1(O)CCOCC1)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C11H17N3O6S/c1-14(7-11(17)2-4-20-5-3-11)21(18,19)9-8(10(15)16)6-12-13-9/h6,17H,2-5,7H2,1H3,(H,12,13)(H,15,16)
InChIKeyHVEMBPVEAZMILE-UHFFFAOYSA-N
MW319.34 g/mol
LogP-0.73
Rot. Bonds5

About 5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 114948674) has the molecular formula C11H17N3O6S and a molecular weight of 319.34 g/mol. Its IUPAC name is 5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID114948674
Molecular FormulaC11H17N3O6S
Molecular Weight319.34 g/mol
Exact Mass319.08
IUPAC Name5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCN(CC1(O)CCOCC1)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C11H17N3O6S/c1-14(7-11(17)2-4-20-5-3-11)21(18,19)9-8(10(15)16)6-12-13-9/h6,17H,2-5,7H2,1H3,(H,12,13)(H,15,16)
InChIKeyHVEMBPVEAZMILE-UHFFFAOYSA-N
XLogP-0.73
TPSA132.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 114948669
4-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 114948672
N-[(4-hydroxyoxan-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 114951826
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950091
5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-sulfonamide
CID 114951778
5-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60949550
5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60910761
5-(1,4-oxazepan-4-ylsulfonyl)-1H-pyrazole-4-carboxylic acid
CID 62988685
N-[(4-hydroxyoxan-4-yl)methyl]-N,4,5-trimethylthiophene-2-sulfonamide
CID 139012579
5-[(1-hydroxycyclopentyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 65105351
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(methylamino)benzenesulfonamide
CID 114953048
4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylbenzenesulfonamide
CID 114951847

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 114948674) is 5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid is CN(CC1(O)CCOCC1)S(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is HVEMBPVEAZMILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O6S/c1-14(7-11(17)2-4-20-5-3-11)21(18,19)9-8(10(15)16)6-12-13-9/h6,17H,2-5,7H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 319.34 g/mol, XLogP of -0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 114948674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).