5-bromo-N-[2-(ethylsulfonylamino)ethyl]-1H-pyrazole-3-carboxamide

C8H13BrN4O3S — CID 125421670

IUPAC5-bromo-N-[2-(ethylsulfonylamino)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCS(=O)(=O)NCCNC(=O)c1cc(Br)[nH]n1
InChIInChI=1S/C8H13BrN4O3S/c1-2-17(15,16)11-4-3-10-8(14)6-5-7(9)13-12-6/h5,11H,2-4H2,1H3,(H,10,14)(H,12,13)
InChIKeyFNMZFBDBUODKCX-UHFFFAOYSA-N
MW325.19 g/mol
LogP-0.16
Rot. Bonds6

About 5-bromo-N-[2-(ethylsulfonylamino)ethyl]-1H-pyrazole-3-carboxamide

5-bromo-N-[2-(ethylsulfonylamino)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 125421670) has the molecular formula C8H13BrN4O3S and a molecular weight of 325.19 g/mol. Its IUPAC name is 5-bromo-N-[2-(ethylsulfonylamino)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(ethylsulfonylamino)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID125421670
Molecular FormulaC8H13BrN4O3S
Molecular Weight325.19 g/mol
Exact Mass323.99
IUPAC Name5-bromo-N-[2-(ethylsulfonylamino)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCS(=O)(=O)NCCNC(=O)c1cc(Br)[nH]n1
InChIInChI=1S/C8H13BrN4O3S/c1-2-17(15,16)11-4-3-10-8(14)6-5-7(9)13-12-6/h5,11H,2-4H2,1H3,(H,10,14)(H,12,13)
InChIKeyFNMZFBDBUODKCX-UHFFFAOYSA-N
XLogP-0.16
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Bromo-2H-pyrazole-3-carboxylic acid methylamide
CID 76963830
3-[[(5-bromo-1H-pyrazole-3-carbonyl)amino]methyl]azetidine-1-sulfonyl fluoride
CID 166414309
3-[(5-bromo-1H-pyrazole-3-carbonyl)amino]pyrrolidine-1-sulfonyl fluoride
CID 166419831
3-(butylcarbamoyl)-1H-pyrazole-5-sulfonyl fluoride
CID 167871200
N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
CID 90085564
N-[2-(acetylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide;ethane;molecular hydrogen
CID 144593241
N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
CID 147728203
N-[3-[ethylsulfonyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide
CID 51087164
N-(2-sulfamoylethyl)-1H-pyrazole-5-carboxamide
CID 61067022
N-(3-sulfamoylpropyl)-1H-pyrazole-5-carboxamide
CID 61150669
3-amino-N-(2-methylsulfonylethyl)-1H-pyrazole-5-carboxamide
CID 64523250
3-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide
CID 64523638

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(ethylsulfonylamino)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(ethylsulfonylamino)ethyl]-1H-pyrazole-3-carboxamide (CID 125421670) is 5-bromo-N-[2-(ethylsulfonylamino)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(ethylsulfonylamino)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(ethylsulfonylamino)ethyl]-1H-pyrazole-3-carboxamide is CCS(=O)(=O)NCCNC(=O)c1cc(Br)[nH]n1.
What is the InChIKey of 5-bromo-N-[2-(ethylsulfonylamino)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is FNMZFBDBUODKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4O3S/c1-2-17(15,16)11-4-3-10-8(14)6-5-7(9)13-12-6/h5,11H,2-4H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 5-bromo-N-[2-(ethylsulfonylamino)ethyl]-1H-pyrazole-3-carboxamide?
5-bromo-N-[2-(ethylsulfonylamino)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 325.19 g/mol, XLogP of -0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(ethylsulfonylamino)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 125421670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).