ethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate

C11H19N3O5S — CID 115755167

IUPACethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC(CC)CCO
InChIInChI=1S/C11H19N3O5S/c1-3-8(5-6-15)14-20(17,18)10-9(7-12-13-10)11(16)19-4-2/h7-8,14-15H,3-6H2,1-2H3,(H,12,13)
InChIKeyCZHNAVZCEGRUTD-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.03
Rot. Bonds8

About ethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate

ethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate (PubChem CID 115755167) has the molecular formula C11H19N3O5S and a molecular weight of 305.36 g/mol. Its IUPAC name is ethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
PubChem CID115755167
Molecular FormulaC11H19N3O5S
Molecular Weight305.36 g/mol
Exact Mass305.10
IUPAC Nameethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC(CC)CCO
InChIInChI=1S/C11H19N3O5S/c1-3-8(5-6-15)14-20(17,18)10-9(7-12-13-10)11(16)19-4-2/h7-8,14-15H,3-6H2,1-2H3,(H,12,13)
InChIKeyCZHNAVZCEGRUTD-UHFFFAOYSA-N
XLogP0.03
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-(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-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337
ethyl 5-(prop-2-ynylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713581
ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713518
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
ethyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-1H-pyrazole-4-carboxylate;hydrochloride
CID 119981227
ethyl 5-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 63967060

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate (CID 115755167) is ethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NC(CC)CCO.
What is the InChIKey of ethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The InChIKey is CZHNAVZCEGRUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5S/c1-3-8(5-6-15)14-20(17,18)10-9(7-12-13-10)11(16)19-4-2/h7-8,14-15H,3-6H2,1-2H3,(H,12,13).
What are the key properties of ethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
ethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 115755167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).