ethyl 5-[propyl(pyrrolidin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride

C13H23ClN4O4S — CID 119976480

IUPACethyl 5-[propyl(pyrrolidin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride
SMILESCCCN(C1CCNC1)S(=O)(=O)c1[nH]ncc1C(=O)OCC.Cl
InChIInChI=1S/C13H22N4O4S.ClH/c1-3-7-17(10-5-6-14-8-10)22(19,20)12-11(9-15-16-12)13(18)21-4-2;/h9-10,14H,3-8H2,1-2H3,(H,15,16);1H
InChIKeyZFKLBERURGTUGI-UHFFFAOYSA-N
MW366.87 g/mol
LogP0.77
Rot. Bonds7

About ethyl 5-[propyl(pyrrolidin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride

ethyl 5-[propyl(pyrrolidin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride (PubChem CID 119976480) has the molecular formula C13H23ClN4O4S and a molecular weight of 366.87 g/mol. Its IUPAC name is ethyl 5-[propyl(pyrrolidin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-[propyl(pyrrolidin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride
PubChem CID119976480
Molecular FormulaC13H23ClN4O4S
Molecular Weight366.87 g/mol
Exact Mass366.11
IUPAC Nameethyl 5-[propyl(pyrrolidin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride
SMILESCCCN(C1CCNC1)S(=O)(=O)c1[nH]ncc1C(=O)OCC.Cl
InChIInChI=1S/C13H22N4O4S.ClH/c1-3-7-17(10-5-6-14-8-10)22(19,20)12-11(9-15-16-12)13(18)21-4-2;/h9-10,14H,3-8H2,1-2H3,(H,15,16);1H
InChIKeyZFKLBERURGTUGI-UHFFFAOYSA-N
XLogP0.77
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(dipropylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 47141011
ethyl 5-[methyl(propyl)sulfamoyl]-1H-pyrazole-4-carboxylate
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ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 51330478
ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 51330519
ethyl 5-(pyrrolidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 119966905
methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976798
methyl 2-methyl-5-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976853
ethyl 5-(piperidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 119964205
ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337
methyl 3-methyl-4-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976762
ethyl 5-(2-methylpiperazin-1-yl)sulfonyl-1H-pyrazole-4-carboxylate
CID 119969798
methyl 3-[propyl(pyrrolidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate;hydrochloride
CID 119976720

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[propyl(pyrrolidin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-[propyl(pyrrolidin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride (CID 119976480) is ethyl 5-[propyl(pyrrolidin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-[propyl(pyrrolidin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-[propyl(pyrrolidin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride is CCCN(C1CCNC1)S(=O)(=O)c1[nH]ncc1C(=O)OCC.Cl.
What is the InChIKey of ethyl 5-[propyl(pyrrolidin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride?
The InChIKey is ZFKLBERURGTUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S.ClH/c1-3-7-17(10-5-6-14-8-10)22(19,20)12-11(9-15-16-12)13(18)21-4-2;/h9-10,14H,3-8H2,1-2H3,(H,15,16);1H.
What are the key properties of ethyl 5-[propyl(pyrrolidin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride?
ethyl 5-[propyl(pyrrolidin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride has a molecular weight of 366.87 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[propyl(pyrrolidin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 119976480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).