ethyl 3-[2-(4-aminopyrazol-1-yl)ethylsulfamoyl]propanoate

C10H18N4O4S — CID 115319868

IUPACethyl 3-[2-(4-aminopyrazol-1-yl)ethylsulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NCCn1cc(N)cn1
InChIInChI=1S/C10H18N4O4S/c1-2-18-10(15)3-6-19(16,17)13-4-5-14-8-9(11)7-12-14/h7-8,13H,2-6,11H2,1H3
InChIKeyRCVISFLUMPCMDJ-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.66
Rot. Bonds8

About ethyl 3-[2-(4-aminopyrazol-1-yl)ethylsulfamoyl]propanoate

ethyl 3-[2-(4-aminopyrazol-1-yl)ethylsulfamoyl]propanoate (PubChem CID 115319868) has the molecular formula C10H18N4O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is ethyl 3-[2-(4-aminopyrazol-1-yl)ethylsulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(4-aminopyrazol-1-yl)ethylsulfamoyl]propanoate
PubChem CID115319868
Molecular FormulaC10H18N4O4S
Molecular Weight290.34 g/mol
Exact Mass290.10
IUPAC Nameethyl 3-[2-(4-aminopyrazol-1-yl)ethylsulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NCCn1cc(N)cn1
InChIInChI=1S/C10H18N4O4S/c1-2-18-10(15)3-6-19(16,17)13-4-5-14-8-9(11)7-12-14/h7-8,13H,2-6,11H2,1H3
InChIKeyRCVISFLUMPCMDJ-UHFFFAOYSA-N
XLogP-0.66
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide
CID 97428228
Methyl 2-[4-(4,4,4-trifluorobutylsulfonylamino)pyrazol-1-yl]acetate
CID 83048179
2-methoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanesulfonamide
CID 95741342
Methyl 4-[(3,3-difluoro-2-pyrazol-1-ylpropyl)sulfamoyl]butanoate
CID 139018607
Ethyl 3-[(1-methylpyrazol-4-yl)amino]propanoate
CID 79769837
[1-[2-(Dimethylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]-2-methylpropan-2-yl]carbamic acid
CID 175270549
[4-(Propylsulfonylamino)pyrazol-1-yl]methyl 2,2-dimethylpropanoate
CID 3720872
Dimethyl 3-[4-(propylsulfonylamino)pyrazol-1-yl]pentanedioate
CID 3807029
N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propane-1-sulfonamide
CID 3855977
2-[(1-Methylpyrazol-4-yl)sulfamoyl]acetic acid
CID 43535067
4-[(1-Methylpyrazol-4-yl)sulfamoyl]butanoic acid
CID 43535077
3-[(1-Methylpyrazol-4-yl)sulfamoyl]propanoic acid
CID 43535078

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(4-aminopyrazol-1-yl)ethylsulfamoyl]propanoate?
The IUPAC name of ethyl 3-[2-(4-aminopyrazol-1-yl)ethylsulfamoyl]propanoate (CID 115319868) is ethyl 3-[2-(4-aminopyrazol-1-yl)ethylsulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[2-(4-aminopyrazol-1-yl)ethylsulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[2-(4-aminopyrazol-1-yl)ethylsulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)NCCn1cc(N)cn1.
What is the InChIKey of ethyl 3-[2-(4-aminopyrazol-1-yl)ethylsulfamoyl]propanoate?
The InChIKey is RCVISFLUMPCMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-2-18-10(15)3-6-19(16,17)13-4-5-14-8-9(11)7-12-14/h7-8,13H,2-6,11H2,1H3.
What are the key properties of ethyl 3-[2-(4-aminopyrazol-1-yl)ethylsulfamoyl]propanoate?
ethyl 3-[2-(4-aminopyrazol-1-yl)ethylsulfamoyl]propanoate has a molecular weight of 290.34 g/mol, XLogP of -0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(4-aminopyrazol-1-yl)ethylsulfamoyl]propanoate is sourced from PubChem (CID 115319868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).