4-[(3,5-diamino-1-methylpyrazol-4-yl)diazenyl]phenol

C10H12N6O — CID 136961393

IUPAC4-[(3,5-diamino-1-methylpyrazol-4-yl)diazenyl]phenol
SMILESCn1nc(N)c(/N=N/c2ccc(O)cc2)c1N
InChIInChI=1S/C10H12N6O/c1-16-10(12)8(9(11)15-16)14-13-6-2-4-7(17)5-3-6/h2-5,17H,12H2,1H3,(H2,11,15)/b14-13+
InChIKeySIRSCBHJSFPOKE-BUHFOSPRSA-N
MW232.25 g/mol
LogP1.71
Rot. Bonds2

About 4-[(3,5-diamino-1-methylpyrazol-4-yl)diazenyl]phenol

4-[(3,5-diamino-1-methylpyrazol-4-yl)diazenyl]phenol (PubChem CID 136961393) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 4-[(3,5-diamino-1-methylpyrazol-4-yl)diazenyl]phenol.

Molecular Properties

Compound Name4-[(3,5-diamino-1-methylpyrazol-4-yl)diazenyl]phenol
PubChem CID136961393
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name4-[(3,5-diamino-1-methylpyrazol-4-yl)diazenyl]phenol
SMILESCn1nc(N)c(/N=N/c2ccc(O)cc2)c1N
InChIInChI=1S/C10H12N6O/c1-16-10(12)8(9(11)15-16)14-13-6-2-4-7(17)5-3-6/h2-5,17H,12H2,1H3,(H2,11,15)/b14-13+
InChIKeySIRSCBHJSFPOKE-BUHFOSPRSA-N
XLogP1.71
TPSA114.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.71
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-[(3,5-diamino-1-methylpyrazol-4-yl)diazenyl]phenol?
The IUPAC name of 4-[(3,5-diamino-1-methylpyrazol-4-yl)diazenyl]phenol (CID 136961393) is 4-[(3,5-diamino-1-methylpyrazol-4-yl)diazenyl]phenol.
What is the SMILES notation for 4-[(3,5-diamino-1-methylpyrazol-4-yl)diazenyl]phenol?
The canonical SMILES for 4-[(3,5-diamino-1-methylpyrazol-4-yl)diazenyl]phenol is Cn1nc(N)c(/N=N/c2ccc(O)cc2)c1N.
What is the InChIKey of 4-[(3,5-diamino-1-methylpyrazol-4-yl)diazenyl]phenol?
The InChIKey is SIRSCBHJSFPOKE-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H12N6O/c1-16-10(12)8(9(11)15-16)14-13-6-2-4-7(17)5-3-6/h2-5,17H,12H2,1H3,(H2,11,15)/b14-13+.
What are the key properties of 4-[(3,5-diamino-1-methylpyrazol-4-yl)diazenyl]phenol?
4-[(3,5-diamino-1-methylpyrazol-4-yl)diazenyl]phenol has a molecular weight of 232.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-diamino-1-methylpyrazol-4-yl)diazenyl]phenol is sourced from PubChem (CID 136961393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).