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

C16H15N5O6S2 — CID 136795257

IUPAC2-[[5-amino-3-methyl-1-(3-sulfophenyl)pyrazol-4-yl]diazenyl]benzenesulfonic acid
SMILESCc1nn(-c2cccc(S(=O)(=O)O)c2)c(N)c1/N=N/c1ccccc1S(=O)(=O)O
InChIInChI=1S/C16H15N5O6S2/c1-10-15(19-18-13-7-2-3-8-14(13)29(25,26)27)16(17)21(20-10)11-5-4-6-12(9-11)28(22,23)24/h2-9H,17H2,1H3,(H,22,23,24)(H,25,26,27)/b19-18+
InChIKeyQDGCMDCPEMMKPH-VHEBQXMUSA-N
MW437.46 g/mol
LogP2.67
Rot. Bonds5

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

2-[[5-amino-3-methyl-1-(3-sulfophenyl)pyrazol-4-yl]diazenyl]benzenesulfonic acid (PubChem CID 136795257) has the molecular formula C16H15N5O6S2 and a molecular weight of 437.46 g/mol. Its IUPAC name is 2-[[5-amino-3-methyl-1-(3-sulfophenyl)pyrazol-4-yl]diazenyl]benzenesulfonic acid.

Molecular Properties

Compound Name2-[[5-amino-3-methyl-1-(3-sulfophenyl)pyrazol-4-yl]diazenyl]benzenesulfonic acid
PubChem CID136795257
Molecular FormulaC16H15N5O6S2
Molecular Weight437.46 g/mol
Exact Mass437.05
IUPAC Name2-[[5-amino-3-methyl-1-(3-sulfophenyl)pyrazol-4-yl]diazenyl]benzenesulfonic acid
SMILESCc1nn(-c2cccc(S(=O)(=O)O)c2)c(N)c1/N=N/c1ccccc1S(=O)(=O)O
InChIInChI=1S/C16H15N5O6S2/c1-10-15(19-18-13-7-2-3-8-14(13)29(25,26)27)16(17)21(20-10)11-5-4-6-12(9-11)28(22,23)24/h2-9H,17H2,1H3,(H,22,23,24)(H,25,26,27)/b19-18+
InChIKeyQDGCMDCPEMMKPH-VHEBQXMUSA-N
XLogP2.67
TPSA177.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-[[5-amino-3-methyl-1-(3-sulfophenyl)pyrazol-4-yl]diazenyl]benzenesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2,5-dichlorophenyl]methanesulfonic acid
CID 157273292
2-[[5-amino-3-methyl-1-(3-methyl-4-sulfophenyl)pyrazol-4-yl]diazenyl]-1,3-benzothiazole-6-sulfonic acid
CID 136502805
2-[[5-amino-3-methyl-1-(4-sulfophenyl)pyrazol-4-yl]diazenyl]-1,3-benzothiazole-5-sulfonic acid
CID 136593881
5-[(4-amino-2-methylphenyl)diazenyl]-8-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 54234900
6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135467867
2-[[4-[[1-hydroxy-7-[[5-hydroxy-1-[5-hydroxy-7-sulfo-6-[(2-sulfophenyl)diazenyl]naphthalen-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-sulfonaphthalen-2-yl]diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-5-sulfobenzoic acid
CID 135995277
7-(4,5-diamino-3-methylpyrazol-1-yl)naphthalene-2-sulfonic acid
CID 142894207
disodium;4-[4-[[5-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-methyl-5-oxidopyrazol-1-yl]benzenesulfonate
CID 102377208
azanium;bis(1-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-methylpyrazol-5-ol);chromium
CID 137314742
2-amino-4-methyl-5-[(2-sulfophenyl)diazenyl]benzene-1,3-disulfonic acid
CID 172851952
2-[(2-amino-5-sulfonaphthalen-1-yl)diazenyl]-5-nitrophenolate;chromium(3+);2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate
CID 170854161
disodium;5-chloro-3-[[3-methyl-5-oxido-1-(3-sulfonatophenyl)pyrazol-4-yl]diazenyl]-2-oxidobenzenesulfonate;chromium;hydroxide
CID 22913

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-3-methyl-1-(3-sulfophenyl)pyrazol-4-yl]diazenyl]benzenesulfonic acid?
The IUPAC name of 2-[[5-amino-3-methyl-1-(3-sulfophenyl)pyrazol-4-yl]diazenyl]benzenesulfonic acid (CID 136795257) is 2-[[5-amino-3-methyl-1-(3-sulfophenyl)pyrazol-4-yl]diazenyl]benzenesulfonic acid.
What is the SMILES notation for 2-[[5-amino-3-methyl-1-(3-sulfophenyl)pyrazol-4-yl]diazenyl]benzenesulfonic acid?
The canonical SMILES for 2-[[5-amino-3-methyl-1-(3-sulfophenyl)pyrazol-4-yl]diazenyl]benzenesulfonic acid is Cc1nn(-c2cccc(S(=O)(=O)O)c2)c(N)c1/N=N/c1ccccc1S(=O)(=O)O.
What is the InChIKey of 2-[[5-amino-3-methyl-1-(3-sulfophenyl)pyrazol-4-yl]diazenyl]benzenesulfonic acid?
The InChIKey is QDGCMDCPEMMKPH-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H15N5O6S2/c1-10-15(19-18-13-7-2-3-8-14(13)29(25,26)27)16(17)21(20-10)11-5-4-6-12(9-11)28(22,23)24/h2-9H,17H2,1H3,(H,22,23,24)(H,25,26,27)/b19-18+.
What are the key properties of 2-[[5-amino-3-methyl-1-(3-sulfophenyl)pyrazol-4-yl]diazenyl]benzenesulfonic acid?
2-[[5-amino-3-methyl-1-(3-sulfophenyl)pyrazol-4-yl]diazenyl]benzenesulfonic acid has a molecular weight of 437.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-3-methyl-1-(3-sulfophenyl)pyrazol-4-yl]diazenyl]benzenesulfonic acid is sourced from PubChem (CID 136795257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).