ethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate

C12H21N3O4S — CID 47141011

IUPACethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCCN(CCC)S(=O)(=O)c1[nH]ncc1C(=O)OCC
InChIInChI=1S/C12H21N3O4S/c1-4-7-15(8-5-2)20(17,18)11-10(9-13-14-11)12(16)19-6-3/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyLZEICMQXULTJQO-UHFFFAOYSA-N
MW303.38 g/mol
LogP1.40
Rot. Bonds8

About ethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate

ethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate (PubChem CID 47141011) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is ethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate
PubChem CID47141011
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Nameethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCCN(CCC)S(=O)(=O)c1[nH]ncc1C(=O)OCC
InChIInChI=1S/C12H21N3O4S/c1-4-7-15(8-5-2)20(17,18)11-10(9-13-14-11)12(16)19-6-3/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyLZEICMQXULTJQO-UHFFFAOYSA-N
XLogP1.40
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 47265875
ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 51330519
ethyl 5-[propyl(pyrrolidin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride
CID 119976480
ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 51330478
ethyl 5-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]-1H-pyrazole-4-carboxylate
CID 51330938
ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60712845
ethyl 5-(prop-2-ynylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713581
ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713518
ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337
ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 112672393
ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 119989814
ethyl 5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713652

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate (CID 47141011) is ethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate is CCCN(CCC)S(=O)(=O)c1[nH]ncc1C(=O)OCC.
What is the InChIKey of ethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate?
The InChIKey is LZEICMQXULTJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-4-7-15(8-5-2)20(17,18)11-10(9-13-14-11)12(16)19-6-3/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of ethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate?
ethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate has a molecular weight of 303.38 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 47141011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).