5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C8H13N3O6S — CID 106185878

IUPAC5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCOCC(CO)NS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C8H13N3O6S/c1-17-4-5(3-12)11-18(15,16)7-6(8(13)14)2-9-10-7/h2,5,11-12H,3-4H2,1H3,(H,9,10)(H,13,14)
InChIKeyLIRJFQDSAOREND-UHFFFAOYSA-N
MW279.27 g/mol
LogP-1.61
Rot. Bonds7

About 5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 106185878) has the molecular formula C8H13N3O6S and a molecular weight of 279.27 g/mol. Its IUPAC name is 5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID106185878
Molecular FormulaC8H13N3O6S
Molecular Weight279.27 g/mol
Exact Mass279.05
IUPAC Name5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCOCC(CO)NS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C8H13N3O6S/c1-17-4-5(3-12)11-18(15,16)7-6(8(13)14)2-9-10-7/h2,5,11-12H,3-4H2,1H3,(H,9,10)(H,13,14)
InChIKeyLIRJFQDSAOREND-UHFFFAOYSA-N
XLogP-1.61
TPSA141.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 5-1.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid
CID 106185797
5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62200773
5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106281469
N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 113346258
5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934219
5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54933933
ethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 115755167
5-[(3-methoxycyclobutyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114118897
2,6-difluoro-3-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid
CID 106185831
5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 81352466
ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60712845
4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 106185815

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 106185878) is 5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is COCC(CO)NS(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is LIRJFQDSAOREND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O6S/c1-17-4-5(3-12)11-18(15,16)7-6(8(13)14)2-9-10-7/h2,5,11-12H,3-4H2,1H3,(H,9,10)(H,13,14).
What are the key properties of 5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 279.27 g/mol, XLogP of -1.61, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 106185878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).