2-amino-5-[5-amino-3-methyl-4-(methylamino)pyrazol-1-yl]benzenesulfonic acid

C11H15N5O3S — CID 142894230

IUPAC2-amino-5-[5-amino-3-methyl-4-(methylamino)pyrazol-1-yl]benzenesulfonic acid
SMILESCNc1c(C)nn(-c2ccc(N)c(S(=O)(=O)O)c2)c1N
InChIInChI=1S/C11H15N5O3S/c1-6-10(14-2)11(13)16(15-6)7-3-4-8(12)9(5-7)20(17,18)19/h3-5,14H,12-13H2,1-2H3,(H,17,18,19)
InChIKeyMAZUKYOIZBJCDL-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.63
Rot. Bonds3

About 2-amino-5-[5-amino-3-methyl-4-(methylamino)pyrazol-1-yl]benzenesulfonic acid

2-amino-5-[5-amino-3-methyl-4-(methylamino)pyrazol-1-yl]benzenesulfonic acid (PubChem CID 142894230) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-amino-5-[5-amino-3-methyl-4-(methylamino)pyrazol-1-yl]benzenesulfonic acid.

Molecular Properties

Compound Name2-amino-5-[5-amino-3-methyl-4-(methylamino)pyrazol-1-yl]benzenesulfonic acid
PubChem CID142894230
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name2-amino-5-[5-amino-3-methyl-4-(methylamino)pyrazol-1-yl]benzenesulfonic acid
SMILESCNc1c(C)nn(-c2ccc(N)c(S(=O)(=O)O)c2)c1N
InChIInChI=1S/C11H15N5O3S/c1-6-10(14-2)11(13)16(15-6)7-3-4-8(12)9(5-7)20(17,18)19/h3-5,14H,12-13H2,1-2H3,(H,17,18,19)
InChIKeyMAZUKYOIZBJCDL-UHFFFAOYSA-N
XLogP0.63
TPSA136.26 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

7-(4,5-diamino-3-methylpyrazol-1-yl)naphthalene-2-sulfonic acid
CID 142894207
2-[[5-amino-3-methyl-1-(3-sulfophenyl)pyrazol-4-yl]diazenyl]benzenesulfonic acid
CID 136795257
methyl 2-amino-5-(3,4,5-trimethylpyrazol-1-yl)benzoate
CID 61311141
2-amino-5-(hydroxyamino)benzenesulfonic acid
CID 89039336
2-amino-5-iodobenzenesulfonic acid
CID 11087848
2-aminobenzene-1,4-disulfonic acid;4-aminobenzene-1,3-disulfonic acid
CID 88725351
2-amino-5-ethylbenzenesulfonic acid
CID 14819008
2-amino-5-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid
CID 19021966
2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide
CID 79466814
2-[[5-amino-3-methyl-1-(3-methyl-4-sulfophenyl)pyrazol-4-yl]diazenyl]-1,3-benzothiazole-6-sulfonic acid
CID 136502805
2-amino-5-(3,4,5-trimethylpyrazol-1-yl)benzoic acid
CID 61237756
2-amino-5-[4-amino-3-(trihydroxy-λ4-sulfanyl)phenyl]benzenesulfonic acid
CID 59059894

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[5-amino-3-methyl-4-(methylamino)pyrazol-1-yl]benzenesulfonic acid?
The IUPAC name of 2-amino-5-[5-amino-3-methyl-4-(methylamino)pyrazol-1-yl]benzenesulfonic acid (CID 142894230) is 2-amino-5-[5-amino-3-methyl-4-(methylamino)pyrazol-1-yl]benzenesulfonic acid.
What is the SMILES notation for 2-amino-5-[5-amino-3-methyl-4-(methylamino)pyrazol-1-yl]benzenesulfonic acid?
The canonical SMILES for 2-amino-5-[5-amino-3-methyl-4-(methylamino)pyrazol-1-yl]benzenesulfonic acid is CNc1c(C)nn(-c2ccc(N)c(S(=O)(=O)O)c2)c1N.
What is the InChIKey of 2-amino-5-[5-amino-3-methyl-4-(methylamino)pyrazol-1-yl]benzenesulfonic acid?
The InChIKey is MAZUKYOIZBJCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-6-10(14-2)11(13)16(15-6)7-3-4-8(12)9(5-7)20(17,18)19/h3-5,14H,12-13H2,1-2H3,(H,17,18,19).
What are the key properties of 2-amino-5-[5-amino-3-methyl-4-(methylamino)pyrazol-1-yl]benzenesulfonic acid?
2-amino-5-[5-amino-3-methyl-4-(methylamino)pyrazol-1-yl]benzenesulfonic acid has a molecular weight of 297.34 g/mol, XLogP of 0.63, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[5-amino-3-methyl-4-(methylamino)pyrazol-1-yl]benzenesulfonic acid is sourced from PubChem (CID 142894230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).