(2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene

C12H12F2N4 — CID 155271897

IUPAC(2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene
SMILESCc1nn(C)c(C)c1/N=N/c1c(F)cccc1F
InChIInChI=1S/C12H12F2N4/c1-7-11(8(2)18(3)17-7)15-16-12-9(13)5-4-6-10(12)14/h4-6H,1-3H3/b16-15+
InChIKeyXJLPMJRJBZCHIQ-FOCLMDBBSA-N
MW250.25 g/mol
LogP3.73
Rot. Bonds2

About (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene

(2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene (PubChem CID 155271897) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene
PubChem CID155271897
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name(2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene
SMILESCc1nn(C)c(C)c1/N=N/c1c(F)cccc1F
InChIInChI=1S/C12H12F2N4/c1-7-11(8(2)18(3)17-7)15-16-12-9(13)5-4-6-10(12)14/h4-6H,1-3H3/b16-15+
InChIKeyXJLPMJRJBZCHIQ-FOCLMDBBSA-N
XLogP3.73
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 53.73
H-Bond Donors ≤ 50
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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Related Compounds

3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
3,5-dimethyl-1-phenyl-1H-pyrazol-4-amine
CID 7037010
1-ethyl-3,5-dimethyl-2-phenyl-1H-pyrazol-2-ium iodide
CID 16188343
1-((4-Fluorophenyl)methyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 573307
1-Methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
CID 162663334
1-Methyl-5-phenyl-3-trifluoromethyl-1H-pyrazol-4-ylamine
CID 71041357
4-[(3-Fluorophenyl)diazenyl]-3,5-dimethylpyrazole-1-carbodithioic acid
CID 334960
3-Methyl-1-phenyl-5-(trifluoromethyl)-1H-pyrazole
CID 14668995
1-(4-Fluorophenyl)-3,5-dimethyl-1H-pyrazole
CID 21724113
4-(4-Fluorophenyl)-1,3,5-trimethylpyrazole
CID 102184445
2,3,5-trimethyl-1-phenyl-1H-pyrazol-2-ium
CID 750327
Pyrazole, 1-benzyl-4-(dimethylamino)-3,5-dimethyl-
CID 206689

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene?
The IUPAC name of (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene (CID 155271897) is (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene.
What is the SMILES notation for (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene?
The canonical SMILES for (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene is Cc1nn(C)c(C)c1/N=N/c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene?
The InChIKey is XJLPMJRJBZCHIQ-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H12F2N4/c1-7-11(8(2)18(3)17-7)15-16-12-9(13)5-4-6-10(12)14/h4-6H,1-3H3/b16-15+.
What are the key properties of (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene?
(2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene has a molecular weight of 250.25 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)diazene is sourced from PubChem (CID 155271897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).