cyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate

C12H19N3O4S — CID 66324440

IUPACcyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
SMILESCCc1[nH]nc(C(=O)OCC2CCCC2)c1S(N)(=O)=O
InChIInChI=1S/C12H19N3O4S/c1-2-9-11(20(13,17)18)10(15-14-9)12(16)19-7-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,15)(H2,13,17,18)
InChIKeyCXFCUAHMUMQXGS-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.97
Rot. Bonds5

About cyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate

cyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate (PubChem CID 66324440) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is cyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Namecyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
PubChem CID66324440
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Namecyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
SMILESCCc1[nH]nc(C(=O)OCC2CCCC2)c1S(N)(=O)=O
InChIInChI=1S/C12H19N3O4S/c1-2-9-11(20(13,17)18)10(15-14-9)12(16)19-7-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,15)(H2,13,17,18)
InChIKeyCXFCUAHMUMQXGS-UHFFFAOYSA-N
XLogP0.97
TPSA115.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
The IUPAC name of cyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate (CID 66324440) is cyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate.
What is the SMILES notation for cyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
The canonical SMILES for cyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate is CCc1[nH]nc(C(=O)OCC2CCCC2)c1S(N)(=O)=O.
What is the InChIKey of cyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
The InChIKey is CXFCUAHMUMQXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-2-9-11(20(13,17)18)10(15-14-9)12(16)19-7-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,15)(H2,13,17,18).
What are the key properties of cyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate?
cyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate has a molecular weight of 301.37 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 66324440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).