methyl 2-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]cyclopentane-1-carboxylate

C12H19N3O4S — CID 103343401

IUPACmethyl 2-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCCc1cn[nH]c1NS(=O)(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C12H19N3O4S/c1-3-8-7-13-14-11(8)15-20(17,18)10-6-4-5-9(10)12(16)19-2/h7,9-10H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyUPNDNOOLTOWBHG-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.06
Rot. Bonds5

About methyl 2-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103343401) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is methyl 2-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103343401
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Namemethyl 2-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCCc1cn[nH]c1NS(=O)(=O)C1CCCC1C(=O)OC
InChIInChI=1S/C12H19N3O4S/c1-3-8-7-13-14-11(8)15-20(17,18)10-6-4-5-9(10)12(16)19-2/h7,9-10H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyUPNDNOOLTOWBHG-UHFFFAOYSA-N
XLogP1.06
TPSA101.15 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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342142
methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342272
methyl 2-[(6-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343319
methyl 2-[(5-bromo-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342296
methyl 2-(2H-tetrazol-5-ylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342859
methyl 2-[(6-methyl-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342271
2-[(4-ethyl-1H-pyrazol-5-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 104617433
methyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342250
methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103343173
methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342191
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342294

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]cyclopentane-1-carboxylate (CID 103343401) is methyl 2-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]cyclopentane-1-carboxylate is CCc1cn[nH]c1NS(=O)(=O)C1CCCC1C(=O)OC.
What is the InChIKey of methyl 2-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is UPNDNOOLTOWBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-3-8-7-13-14-11(8)15-20(17,18)10-6-4-5-9(10)12(16)19-2/h7,9-10H,3-6H2,1-2H3,(H2,13,14,15).
What are the key properties of methyl 2-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 301.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103343401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).