ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate

C13H21N3O4S — CID 51330478

IUPACethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H21N3O4S/c1-3-20-13(17)11-9-14-15-12(11)21(18,19)16(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyYJHAWKAHTOSYAR-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.54
Rot. Bonds5

About ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 51330478) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID51330478
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Nameethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H21N3O4S/c1-3-20-13(17)11-9-14-15-12(11)21(18,19)16(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyYJHAWKAHTOSYAR-UHFFFAOYSA-N
XLogP1.54
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate (CID 51330478) is ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is YJHAWKAHTOSYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-3-20-13(17)11-9-14-15-12(11)21(18,19)16(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 315.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 51330478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).