ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate

C10H14N6O4S — CID 103943302

IUPACethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C10H14N6O4S/c1-3-20-10(17)7-4-12-15-9(7)21(18,19)16-6(2)8-11-5-13-14-8/h4-6,16H,3H2,1-2H3,(H,12,15)(H,11,13,14)
InChIKeyAZUFLDHFHHPPEY-UHFFFAOYSA-N
MW314.33 g/mol
LogP-0.26
Rot. Bonds6

About ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 103943302) has the molecular formula C10H14N6O4S and a molecular weight of 314.33 g/mol. Its IUPAC name is ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID103943302
Molecular FormulaC10H14N6O4S
Molecular Weight314.33 g/mol
Exact Mass314.08
IUPAC Nameethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C10H14N6O4S/c1-3-20-10(17)7-4-12-15-9(7)21(18,19)16-6(2)8-11-5-13-14-8/h4-6,16H,3H2,1-2H3,(H,12,15)(H,11,13,14)
InChIKeyAZUFLDHFHHPPEY-UHFFFAOYSA-N
XLogP-0.26
TPSA142.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106281469
ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60712845
ethyl 5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713652
ethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713526
ethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 115755167
ethyl 5-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 63967060
ethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 80708490
ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713518
ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337
ethyl 5-(prop-2-ynylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713581
ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 112672393
ethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 61403878

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate (CID 103943302) is ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NC(C)c1ncn[nH]1.
What is the InChIKey of ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is AZUFLDHFHHPPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O4S/c1-3-20-10(17)7-4-12-15-9(7)21(18,19)16-6(2)8-11-5-13-14-8/h4-6,16H,3H2,1-2H3,(H,12,15)(H,11,13,14).
What are the key properties of ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 314.33 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 103943302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).