4-[(3-methylsulfonylphenyl)diazenyl]-1H-pyrazole-3,5-diamine

C10H12N6O2S — CID 135401185

IUPAC4-[(3-methylsulfonylphenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESCS(=O)(=O)c1cccc(/N=N/c2c(N)n[nH]c2N)c1
InChIInChI=1S/C10H12N6O2S/c1-19(17,18)7-4-2-3-6(5-7)13-14-8-9(11)15-16-10(8)12/h2-5H,1H3,(H5,11,12,15,16)/b14-13+
InChIKeyWJFLZKPZNKMSEX-BUHFOSPRSA-N
MW280.31 g/mol
LogP1.39
Rot. Bonds3

About 4-[(3-methylsulfonylphenyl)diazenyl]-1H-pyrazole-3,5-diamine

4-[(3-methylsulfonylphenyl)diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 135401185) has the molecular formula C10H12N6O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is 4-[(3-methylsulfonylphenyl)diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[(3-methylsulfonylphenyl)diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID135401185
Molecular FormulaC10H12N6O2S
Molecular Weight280.31 g/mol
Exact Mass280.07
IUPAC Name4-[(3-methylsulfonylphenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESCS(=O)(=O)c1cccc(/N=N/c2c(N)n[nH]c2N)c1
InChIInChI=1S/C10H12N6O2S/c1-19(17,18)7-4-2-3-6(5-7)13-14-8-9(11)15-16-10(8)12/h2-5H,1H3,(H5,11,12,15,16)/b14-13+
InChIKeyWJFLZKPZNKMSEX-BUHFOSPRSA-N
XLogP1.39
TPSA139.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylsulfonylphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[(3-methylsulfonylphenyl)diazenyl]-1H-pyrazole-3,5-diamine (CID 135401185) is 4-[(3-methylsulfonylphenyl)diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[(3-methylsulfonylphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[(3-methylsulfonylphenyl)diazenyl]-1H-pyrazole-3,5-diamine is CS(=O)(=O)c1cccc(/N=N/c2c(N)n[nH]c2N)c1.
What is the InChIKey of 4-[(3-methylsulfonylphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is WJFLZKPZNKMSEX-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H12N6O2S/c1-19(17,18)7-4-2-3-6(5-7)13-14-8-9(11)15-16-10(8)12/h2-5H,1H3,(H5,11,12,15,16)/b14-13+.
What are the key properties of 4-[(3-methylsulfonylphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
4-[(3-methylsulfonylphenyl)diazenyl]-1H-pyrazole-3,5-diamine has a molecular weight of 280.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylsulfonylphenyl)diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 135401185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).