ethyl 5-[(3-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylate

C12H19N3O5S — CID 60912054

IUPACethyl 5-[(3-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC1CCCC(O)C1
InChIInChI=1S/C12H19N3O5S/c1-2-20-12(17)10-7-13-14-11(10)21(18,19)15-8-4-3-5-9(16)6-8/h7-9,15-16H,2-6H2,1H3,(H,13,14)
InChIKeyNROGWSRYGPWUTD-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.17
Rot. Bonds5

About ethyl 5-[(3-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[(3-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 60912054) has the molecular formula C12H19N3O5S and a molecular weight of 317.37 g/mol. Its IUPAC name is ethyl 5-[(3-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID60912054
Molecular FormulaC12H19N3O5S
Molecular Weight317.37 g/mol
Exact Mass317.10
IUPAC Nameethyl 5-[(3-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC1CCCC(O)C1
InChIInChI=1S/C12H19N3O5S/c1-2-20-12(17)10-7-13-14-11(10)21(18,19)15-8-4-3-5-9(16)6-8/h7-9,15-16H,2-6H2,1H3,(H,13,14)
InChIKeyNROGWSRYGPWUTD-UHFFFAOYSA-N
XLogP0.17
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(3-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylate (CID 60912054) is ethyl 5-[(3-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(3-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(3-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NC1CCCC(O)C1.
What is the InChIKey of ethyl 5-[(3-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is NROGWSRYGPWUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S/c1-2-20-12(17)10-7-13-14-11(10)21(18,19)15-8-4-3-5-9(16)6-8/h7-9,15-16H,2-6H2,1H3,(H,13,14).
What are the key properties of ethyl 5-[(3-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[(3-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 317.37 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 60912054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).