2-methoxy-5-[5-[4-[(4-methylpiperazin-1-yl)diazenyl]phenyl]-1H-pyrazol-3-yl]phenol

C21H24N6O2 — CID 53473472

IUPAC2-methoxy-5-[5-[4-[(4-methylpiperazin-1-yl)diazenyl]phenyl]-1H-pyrazol-3-yl]phenol
SMILESCOc1ccc(-c2cc(-c3ccc(/N=N/N4CCN(C)CC4)cc3)[nH]n2)cc1O
InChIInChI=1S/C21H24N6O2/c1-26-9-11-27(12-10-26)25-22-17-6-3-15(4-7-17)18-14-19(24-23-18)16-5-8-21(29-2)20(28)13-16/h3-8,13-14,28H,9-12H2,1-2H3,(H,23,24)/b25-22+
InChIKeyJSSWHXLPOHYJGO-YYDJUVGSSA-N
MW392.46 g/mol
LogP3.70
Rot. Bonds5

About 2-methoxy-5-[5-[4-[(4-methylpiperazin-1-yl)diazenyl]phenyl]-1H-pyrazol-3-yl]phenol

2-methoxy-5-[5-[4-[(4-methylpiperazin-1-yl)diazenyl]phenyl]-1H-pyrazol-3-yl]phenol (PubChem CID 53473472) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-methoxy-5-[5-[4-[(4-methylpiperazin-1-yl)diazenyl]phenyl]-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[5-[4-[(4-methylpiperazin-1-yl)diazenyl]phenyl]-1H-pyrazol-3-yl]phenol
PubChem CID53473472
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-methoxy-5-[5-[4-[(4-methylpiperazin-1-yl)diazenyl]phenyl]-1H-pyrazol-3-yl]phenol
SMILESCOc1ccc(-c2cc(-c3ccc(/N=N/N4CCN(C)CC4)cc3)[nH]n2)cc1O
InChIInChI=1S/C21H24N6O2/c1-26-9-11-27(12-10-26)25-22-17-6-3-15(4-7-17)18-14-19(24-23-18)16-5-8-21(29-2)20(28)13-16/h3-8,13-14,28H,9-12H2,1-2H3,(H,23,24)/b25-22+
InChIKeyJSSWHXLPOHYJGO-YYDJUVGSSA-N
XLogP3.70
TPSA89.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
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-methoxy-5-[5-[4-[(4-methylpiperazin-1-yl)diazenyl]phenyl]-1H-pyrazol-3-yl]phenol?
The IUPAC name of 2-methoxy-5-[5-[4-[(4-methylpiperazin-1-yl)diazenyl]phenyl]-1H-pyrazol-3-yl]phenol (CID 53473472) is 2-methoxy-5-[5-[4-[(4-methylpiperazin-1-yl)diazenyl]phenyl]-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[5-[4-[(4-methylpiperazin-1-yl)diazenyl]phenyl]-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 2-methoxy-5-[5-[4-[(4-methylpiperazin-1-yl)diazenyl]phenyl]-1H-pyrazol-3-yl]phenol is COc1ccc(-c2cc(-c3ccc(/N=N/N4CCN(C)CC4)cc3)[nH]n2)cc1O.
What is the InChIKey of 2-methoxy-5-[5-[4-[(4-methylpiperazin-1-yl)diazenyl]phenyl]-1H-pyrazol-3-yl]phenol?
The InChIKey is JSSWHXLPOHYJGO-YYDJUVGSSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-26-9-11-27(12-10-26)25-22-17-6-3-15(4-7-17)18-14-19(24-23-18)16-5-8-21(29-2)20(28)13-16/h3-8,13-14,28H,9-12H2,1-2H3,(H,23,24)/b25-22+.
What are the key properties of 2-methoxy-5-[5-[4-[(4-methylpiperazin-1-yl)diazenyl]phenyl]-1H-pyrazol-3-yl]phenol?
2-methoxy-5-[5-[4-[(4-methylpiperazin-1-yl)diazenyl]phenyl]-1H-pyrazol-3-yl]phenol has a molecular weight of 392.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[5-[4-[(4-methylpiperazin-1-yl)diazenyl]phenyl]-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 53473472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).