2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]benzoic acid

C10H10N6O2 — CID 1494750

IUPAC2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]benzoic acid
SMILESNc1n[nH]c(N)c1/N=N/c1ccccc1C(=O)O
InChIInChI=1S/C10H10N6O2/c11-8-7(9(12)16-15-8)14-13-6-4-2-1-3-5(6)10(17)18/h1-4H,(H,17,18)(H5,11,12,15,16)/b14-13+
InChIKeyOSFJVKMQBRMWJJ-BUHFOSPRSA-N
MW246.23 g/mol
LogP1.69
Rot. Bonds3

About 2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]benzoic acid

2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]benzoic acid (PubChem CID 1494750) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]benzoic acid.

Molecular Properties

Compound Name2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]benzoic acid
PubChem CID1494750
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]benzoic acid
SMILESNc1n[nH]c(N)c1/N=N/c1ccccc1C(=O)O
InChIInChI=1S/C10H10N6O2/c11-8-7(9(12)16-15-8)14-13-6-4-2-1-3-5(6)10(17)18/h1-4H,(H,17,18)(H5,11,12,15,16)/b14-13+
InChIKeyOSFJVKMQBRMWJJ-BUHFOSPRSA-N
XLogP1.69
TPSA142.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]benzoic acid?
The IUPAC name of 2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]benzoic acid (CID 1494750) is 2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]benzoic acid.
What is the SMILES notation for 2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]benzoic acid?
The canonical SMILES for 2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]benzoic acid is Nc1n[nH]c(N)c1/N=N/c1ccccc1C(=O)O.
What is the InChIKey of 2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]benzoic acid?
The InChIKey is OSFJVKMQBRMWJJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H10N6O2/c11-8-7(9(12)16-15-8)14-13-6-4-2-1-3-5(6)10(17)18/h1-4H,(H,17,18)(H5,11,12,15,16)/b14-13+.
What are the key properties of 2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]benzoic acid?
2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]benzoic acid has a molecular weight of 246.23 g/mol, XLogP of 1.69, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]benzoic acid is sourced from PubChem (CID 1494750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).