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

C5H10N4O2S — CID 79530915

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cn[nH]c1N
InChIInChI=1S/C5H10N4O2S/c1-12(10,11)8-3-4-2-7-9-5(4)6/h2,8H,3H2,1H3,(H3,6,7,9)
InChIKeyXVXJAORXIDEJLP-UHFFFAOYSA-N
MW190.23 g/mol
LogP-0.96
Rot. Bonds3

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

N-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide (PubChem CID 79530915) has the molecular formula C5H10N4O2S and a molecular weight of 190.23 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide
PubChem CID79530915
Molecular FormulaC5H10N4O2S
Molecular Weight190.23 g/mol
Exact Mass190.05
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cn[nH]c1N
InChIInChI=1S/C5H10N4O2S/c1-12(10,11)8-3-4-2-7-9-5(4)6/h2,8H,3H2,1H3,(H3,6,7,9)
InChIKeyXVXJAORXIDEJLP-UHFFFAOYSA-N
XLogP-0.96
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide
CID 79530165
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-methylsulfonylethanesulfonamide
CID 79530161
4-[(propylsulfamoylamino)methyl]-1H-pyrazol-5-amine
CID 114811090
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
CID 79530004
5-amino-4-[[[butyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole
CID 79530009
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 79530011
5-amino-4-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole
CID 79529721
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylimidazole-4-sulfonamide
CID 79530759
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide
CID 79531198
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-bromo-3-methylbenzenesulfonamide
CID 79531351
N-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 79523433
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 79529534

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide (CID 79530915) is N-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide is CS(=O)(=O)NCc1cn[nH]c1N.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide?
The InChIKey is XVXJAORXIDEJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2S/c1-12(10,11)8-3-4-2-7-9-5(4)6/h2,8H,3H2,1H3,(H3,6,7,9).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide has a molecular weight of 190.23 g/mol, XLogP of -0.96, 3 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]methanesulfonamide is sourced from PubChem (CID 79530915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).