(3,5-dimethyl-1H-pyrazol-4-yl)-(2-methoxyphenyl)diazene

C12H14N4O — CID 3755400

IUPAC(3,5-dimethyl-1H-pyrazol-4-yl)-(2-methoxyphenyl)diazene
SMILESCOc1ccccc1/N=N/c1c(C)n[nH]c1C
InChIInChI=1S/C12H14N4O/c1-8-12(9(2)14-13-8)16-15-10-6-4-5-7-11(10)17-3/h4-7H,1-3H3,(H,13,14)/b16-15+
InChIKeyQCGISKLKAPGJMY-FOCLMDBBSA-N
MW230.27 g/mol
LogP3.45
Rot. Bonds3

About (3,5-dimethyl-1H-pyrazol-4-yl)-(2-methoxyphenyl)diazene

(3,5-dimethyl-1H-pyrazol-4-yl)-(2-methoxyphenyl)diazene (PubChem CID 3755400) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is (3,5-dimethyl-1H-pyrazol-4-yl)-(2-methoxyphenyl)diazene.

Molecular Properties

Compound Name(3,5-dimethyl-1H-pyrazol-4-yl)-(2-methoxyphenyl)diazene
PubChem CID3755400
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name(3,5-dimethyl-1H-pyrazol-4-yl)-(2-methoxyphenyl)diazene
SMILESCOc1ccccc1/N=N/c1c(C)n[nH]c1C
InChIInChI=1S/C12H14N4O/c1-8-12(9(2)14-13-8)16-15-10-6-4-5-7-11(10)17-3/h4-7H,1-3H3,(H,13,14)/b16-15+
InChIKeyQCGISKLKAPGJMY-FOCLMDBBSA-N
XLogP3.45
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (3,5-dimethyl-1H-pyrazol-4-yl)-(2-methoxyphenyl)diazene?
The IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)-(2-methoxyphenyl)diazene (CID 3755400) is (3,5-dimethyl-1H-pyrazol-4-yl)-(2-methoxyphenyl)diazene.
What is the SMILES notation for (3,5-dimethyl-1H-pyrazol-4-yl)-(2-methoxyphenyl)diazene?
The canonical SMILES for (3,5-dimethyl-1H-pyrazol-4-yl)-(2-methoxyphenyl)diazene is COc1ccccc1/N=N/c1c(C)n[nH]c1C.
What is the InChIKey of (3,5-dimethyl-1H-pyrazol-4-yl)-(2-methoxyphenyl)diazene?
The InChIKey is QCGISKLKAPGJMY-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-12(9(2)14-13-8)16-15-10-6-4-5-7-11(10)17-3/h4-7H,1-3H3,(H,13,14)/b16-15+.
What are the key properties of (3,5-dimethyl-1H-pyrazol-4-yl)-(2-methoxyphenyl)diazene?
(3,5-dimethyl-1H-pyrazol-4-yl)-(2-methoxyphenyl)diazene has a molecular weight of 230.27 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-pyrazol-4-yl)-(2-methoxyphenyl)diazene is sourced from PubChem (CID 3755400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).