4-[[4-(4-methylpyrazol-1-yl)phenyl]diazenyl]phenol

C16H14N4O — CID 137250300

IUPAC4-[[4-(4-methylpyrazol-1-yl)phenyl]diazenyl]phenol
SMILESCc1cnn(-c2ccc(/N=N/c3ccc(O)cc3)cc2)c1
InChIInChI=1S/C16H14N4O/c1-12-10-17-20(11-12)15-6-2-13(3-7-15)18-19-14-4-8-16(21)9-5-14/h2-11,21H,1H3/b19-18+
InChIKeyVZGGPOLAMZSVHO-VHEBQXMUSA-N
MW278.31 g/mol
LogP4.30
Rot. Bonds3

About 4-[[4-(4-methylpyrazol-1-yl)phenyl]diazenyl]phenol

4-[[4-(4-methylpyrazol-1-yl)phenyl]diazenyl]phenol (PubChem CID 137250300) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[[4-(4-methylpyrazol-1-yl)phenyl]diazenyl]phenol.

Molecular Properties

Compound Name4-[[4-(4-methylpyrazol-1-yl)phenyl]diazenyl]phenol
PubChem CID137250300
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name4-[[4-(4-methylpyrazol-1-yl)phenyl]diazenyl]phenol
SMILESCc1cnn(-c2ccc(/N=N/c3ccc(O)cc3)cc2)c1
InChIInChI=1S/C16H14N4O/c1-12-10-17-20(11-12)15-6-2-13(3-7-15)18-19-14-4-8-16(21)9-5-14/h2-11,21H,1H3/b19-18+
InChIKeyVZGGPOLAMZSVHO-VHEBQXMUSA-N
XLogP4.30
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxyphenyl)pyrazol-4-ol
CID 117124802
4-[4-(methyliminomethyl)pyrazol-1-yl]phenol
CID 123917527
4-[(4-methylphenyl)diazenyl]phenol
CID 2827322
4-(4-methoxypyrazol-1-yl)phenol
CID 88996321
2-amino-4-(4-methylpyrazol-1-yl)phenol
CID 84662036
1-(3,4-dimethylphenyl)-4-methylpyrazole
CID 148851288
(1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 78937565
[4-(4-methylpyrazol-1-yl)phenyl]thiourea
CID 169358177
2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone
CID 82393844
2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 63815889
4-amino-3-(4-methylpyrazol-1-yl)phenol
CID 84662020
3-chloro-4-(4-methylpyrazol-1-yl)phenol
CID 70819185

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methylpyrazol-1-yl)phenyl]diazenyl]phenol?
The IUPAC name of 4-[[4-(4-methylpyrazol-1-yl)phenyl]diazenyl]phenol (CID 137250300) is 4-[[4-(4-methylpyrazol-1-yl)phenyl]diazenyl]phenol.
What is the SMILES notation for 4-[[4-(4-methylpyrazol-1-yl)phenyl]diazenyl]phenol?
The canonical SMILES for 4-[[4-(4-methylpyrazol-1-yl)phenyl]diazenyl]phenol is Cc1cnn(-c2ccc(/N=N/c3ccc(O)cc3)cc2)c1.
What is the InChIKey of 4-[[4-(4-methylpyrazol-1-yl)phenyl]diazenyl]phenol?
The InChIKey is VZGGPOLAMZSVHO-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H14N4O/c1-12-10-17-20(11-12)15-6-2-13(3-7-15)18-19-14-4-8-16(21)9-5-14/h2-11,21H,1H3/b19-18+.
What are the key properties of 4-[[4-(4-methylpyrazol-1-yl)phenyl]diazenyl]phenol?
4-[[4-(4-methylpyrazol-1-yl)phenyl]diazenyl]phenol has a molecular weight of 278.31 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methylpyrazol-1-yl)phenyl]diazenyl]phenol is sourced from PubChem (CID 137250300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).