5-(oxolan-3-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid

C9H13N3O5S — CID 54931892

IUPAC5-(oxolan-3-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCC1CCOC1
InChIInChI=1S/C9H13N3O5S/c13-9(14)7-4-10-12-8(7)18(15,16)11-3-6-1-2-17-5-6/h4,6,11H,1-3,5H2,(H,10,12)(H,13,14)
InChIKeyBEVYIRJKDKVPED-UHFFFAOYSA-N
MW275.29 g/mol
LogP-0.58
Rot. Bonds5

About 5-(oxolan-3-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid

5-(oxolan-3-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 54931892) has the molecular formula C9H13N3O5S and a molecular weight of 275.29 g/mol. Its IUPAC name is 5-(oxolan-3-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(oxolan-3-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
PubChem CID54931892
Molecular FormulaC9H13N3O5S
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Name5-(oxolan-3-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCC1CCOC1
InChIInChI=1S/C9H13N3O5S/c13-9(14)7-4-10-12-8(7)18(15,16)11-3-6-1-2-17-5-6/h4,6,11H,1-3,5H2,(H,10,12)(H,13,14)
InChIKeyBEVYIRJKDKVPED-UHFFFAOYSA-N
XLogP-0.58
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Pyrazole-4-carboxylic acid, 3-(aminosulfonyl)-
CID 3075398
1H-Pyrazole-4-carboxylic acid, 3-(aminosulfonyl)-, ethyl ester
CID 3024591
ethyl 3-(pyrrolidin-1-ylsulfonyl)-1H-pyrazole-4-carboxylate
CID 29847207
5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54933972
5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 55175721
5-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 63826976
5-(2,2,2-trifluoroethoxysulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 82706093
ethyl 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 104858876
5-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 105907972
5-(4,4,4-trifluorobutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 105928924
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106168619
5-(4,4,4-trifluorobutylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 113326819

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(oxolan-3-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid (CID 54931892) is 5-(oxolan-3-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(oxolan-3-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(oxolan-3-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)NCC1CCOC1.
What is the InChIKey of 5-(oxolan-3-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is BEVYIRJKDKVPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5S/c13-9(14)7-4-10-12-8(7)18(15,16)11-3-6-1-2-17-5-6/h4,6,11H,1-3,5H2,(H,10,12)(H,13,14).
What are the key properties of 5-(oxolan-3-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
5-(oxolan-3-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 275.29 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 54931892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).