5-methyl-4-[(3-methyloxolan-3-yl)sulfamoyl]-1H-pyrazole-3-carboxylic acid

C10H15N3O5S — CID 113481928

IUPAC5-methyl-4-[(3-methyloxolan-3-yl)sulfamoyl]-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1S(=O)(=O)NC1(C)CCOC1
InChIInChI=1S/C10H15N3O5S/c1-6-8(7(9(14)15)12-11-6)19(16,17)13-10(2)3-4-18-5-10/h13H,3-5H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyARCXZAYTRDFOAK-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.13
Rot. Bonds4

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

5-methyl-4-[(3-methyloxolan-3-yl)sulfamoyl]-1H-pyrazole-3-carboxylic acid (PubChem CID 113481928) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-methyl-4-[(3-methyloxolan-3-yl)sulfamoyl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(3-methyloxolan-3-yl)sulfamoyl]-1H-pyrazole-3-carboxylic acid
PubChem CID113481928
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name5-methyl-4-[(3-methyloxolan-3-yl)sulfamoyl]-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1S(=O)(=O)NC1(C)CCOC1
InChIInChI=1S/C10H15N3O5S/c1-6-8(7(9(14)15)12-11-6)19(16,17)13-10(2)3-4-18-5-10/h13H,3-5H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyARCXZAYTRDFOAK-UHFFFAOYSA-N
XLogP-0.13
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-3-carboxylic acid
CID 81097131
N-(3-methyloxolan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102693380
ethane;N-(3-methyloxolan-3-yl)methanesulfonamide
CID 167493461
ethane;N-(3-methyloxolan-3-yl)methanesulfonamide
CID 167494092
4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 107216292
4-(ethylamino)-2,6-dimethyl-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 107329156
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 106185722
2-(aminomethyl)-4-methyl-N-(3-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 102754843
4-[(2-chloro-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 107526946
4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 107624884
3,5-dimethyl-N-(4-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 114696800
2-amino-4-methyl-N-(3-methyloxolan-3-yl)-1,3-thiazole-5-sulfonamide
CID 113482141

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-methyloxolan-3-yl)sulfamoyl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-4-[(3-methyloxolan-3-yl)sulfamoyl]-1H-pyrazole-3-carboxylic acid (CID 113481928) is 5-methyl-4-[(3-methyloxolan-3-yl)sulfamoyl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(3-methyloxolan-3-yl)sulfamoyl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(3-methyloxolan-3-yl)sulfamoyl]-1H-pyrazole-3-carboxylic acid is Cc1[nH]nc(C(=O)O)c1S(=O)(=O)NC1(C)CCOC1.
What is the InChIKey of 5-methyl-4-[(3-methyloxolan-3-yl)sulfamoyl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is ARCXZAYTRDFOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-6-8(7(9(14)15)12-11-6)19(16,17)13-10(2)3-4-18-5-10/h13H,3-5H2,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 5-methyl-4-[(3-methyloxolan-3-yl)sulfamoyl]-1H-pyrazole-3-carboxylic acid?
5-methyl-4-[(3-methyloxolan-3-yl)sulfamoyl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3-methyloxolan-3-yl)sulfamoyl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 113481928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).