N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide

C6H12N4O2S — CID 79530165

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cn[nH]c1N
InChIInChI=1S/C6H12N4O2S/c1-2-13(11,12)9-4-5-3-8-10-6(5)7/h3,9H,2,4H2,1H3,(H3,7,8,10)
InChIKeyQJWIOMDEMBOMOD-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.57
Rot. Bonds4

About N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide (PubChem CID 79530165) has the molecular formula C6H12N4O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide
PubChem CID79530165
Molecular FormulaC6H12N4O2S
Molecular Weight204.25 g/mol
Exact Mass204.07
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cn[nH]c1N
InChIInChI=1S/C6H12N4O2S/c1-2-13(11,12)9-4-5-3-8-10-6(5)7/h3,9H,2,4H2,1H3,(H3,7,8,10)
InChIKeyQJWIOMDEMBOMOD-UHFFFAOYSA-N
XLogP-0.57
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide (CID 79530165) is N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1cn[nH]c1N.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide?
The InChIKey is QJWIOMDEMBOMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2S/c1-2-13(11,12)9-4-5-3-8-10-6(5)7/h3,9H,2,4H2,1H3,(H3,7,8,10).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide has a molecular weight of 204.25 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 79530165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).