5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C11H17N3O4S — CID 107397572

IUPAC5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCCN(CC1CCC1)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C11H17N3O4S/c1-2-14(7-8-4-3-5-8)19(17,18)10-9(11(15)16)6-12-13-10/h6,8H,2-5,7H2,1H3,(H,12,13)(H,15,16)
InChIKeyISSJBSHMRMRVCV-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.92
Rot. Bonds6

About 5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 107397572) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID107397572
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCCN(CC1CCC1)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C11H17N3O4S/c1-2-14(7-8-4-3-5-8)19(17,18)10-9(11(15)16)6-12-13-10/h6,8H,2-5,7H2,1H3,(H,12,13)(H,15,16)
InChIKeyISSJBSHMRMRVCV-UHFFFAOYSA-N
XLogP0.92
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 107402807
5-[methyl(oxan-3-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 63712565
5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950268
5-[cyclohexyl(2-hydroxyethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60951851
2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid
CID 107397553
5-[ethyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60910761
2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63955952
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950091
ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 51330478
5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950521
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102693048
2-bromo-5-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63954323

Frequently Asked Questions

What is the IUPAC name of 5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 107397572) is 5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is CCN(CC1CCC1)S(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is ISSJBSHMRMRVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-2-14(7-8-4-3-5-8)19(17,18)10-9(11(15)16)6-12-13-10/h6,8H,2-5,7H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclobutylmethyl(ethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 107397572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).