ethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate

C10H17N3O4S — CID 47265875

IUPACethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCCN(C)S(=O)(=O)c1[nH]ncc1C(=O)OCC
InChIInChI=1S/C10H17N3O4S/c1-4-6-13(3)18(15,16)9-8(7-11-12-9)10(14)17-5-2/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyGWUYJPOVDOGYNP-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.62
Rot. Bonds6

About ethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 47265875) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is ethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID47265875
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Nameethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCCN(C)S(=O)(=O)c1[nH]ncc1C(=O)OCC
InChIInChI=1S/C10H17N3O4S/c1-4-6-13(3)18(15,16)9-8(7-11-12-9)10(14)17-5-2/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyGWUYJPOVDOGYNP-UHFFFAOYSA-N
XLogP0.62
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 47141011
ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 51330519
ethyl 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylate
CID 51330938
ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 51330478
ethyl 5-[propyl(pyrrolidin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride
CID 119976480
ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713518
ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60712845
ethyl 5-(prop-2-ynylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713581
ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337
ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 112672393
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950091
ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate
CID 63165064

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate (CID 47265875) is ethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate is CCCN(C)S(=O)(=O)c1[nH]ncc1C(=O)OCC.
What is the InChIKey of ethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is GWUYJPOVDOGYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-4-6-13(3)18(15,16)9-8(7-11-12-9)10(14)17-5-2/h7H,4-6H2,1-3H3,(H,11,12).
What are the key properties of ethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 275.33 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 47265875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).