ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate

C10H17N3O4S — CID 60712845

IUPACethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC(C)CC
InChIInChI=1S/C10H17N3O4S/c1-4-7(3)13-18(15,16)9-8(6-11-12-9)10(14)17-5-2/h6-7,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyDBPVLWZLKSYVRJ-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.66
Rot. Bonds6

About ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate

ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate (PubChem CID 60712845) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
PubChem CID60712845
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Nameethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC(C)CC
InChIInChI=1S/C10H17N3O4S/c1-4-7(3)13-18(15,16)9-8(6-11-12-9)10(14)17-5-2/h6-7,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyDBPVLWZLKSYVRJ-UHFFFAOYSA-N
XLogP0.66
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713652
ethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 115755167
ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 103943302
ethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713526
ethyl 5-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 63967060
ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713518
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-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 112672393
ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 119989814
ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 46510750
5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62200773

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate (CID 60712845) is ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NC(C)CC.
What is the InChIKey of ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The InChIKey is DBPVLWZLKSYVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-4-7(3)13-18(15,16)9-8(6-11-12-9)10(14)17-5-2/h6-7,13H,4-5H2,1-3H3,(H,11,12).
What are the key properties of ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate has a molecular weight of 275.33 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 60712845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).