ethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate

C11H20N4O4S — CID 61403878

IUPACethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCNCCCNS(=O)(=O)c1[nH]ncc1C(=O)OCC
InChIInChI=1S/C11H20N4O4S/c1-3-12-6-5-7-14-20(17,18)10-9(8-13-15-10)11(16)19-4-2/h8,12,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyYHHHGHNNNUGUCZ-UHFFFAOYSA-N
MW304.37 g/mol
LogP-0.14
Rot. Bonds9

About ethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 61403878) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is ethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID61403878
Molecular FormulaC11H20N4O4S
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC Nameethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCNCCCNS(=O)(=O)c1[nH]ncc1C(=O)OCC
InChIInChI=1S/C11H20N4O4S/c1-3-12-6-5-7-14-20(17,18)10-9(8-13-15-10)11(16)19-4-2/h8,12,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyYHHHGHNNNUGUCZ-UHFFFAOYSA-N
XLogP-0.14
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 119989814
ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 171146060
ethyl 5-(2-pyrrolidin-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 119977041
ethyl 5-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 63967060
ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60712845
ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 112672393
ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713518
ethyl 5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713652
ethyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride
CID 119981227
ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 103943302

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate (CID 61403878) is ethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate is CCNCCCNS(=O)(=O)c1[nH]ncc1C(=O)OCC.
What is the InChIKey of ethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is YHHHGHNNNUGUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S/c1-3-12-6-5-7-14-20(17,18)10-9(8-13-15-10)11(16)19-4-2/h8,12,14H,3-7H2,1-2H3,(H,13,15).
What are the key properties of ethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 304.37 g/mol, XLogP of -0.14, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 61403878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).