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

C11H10F2N4 — CID 2797919

IUPAC(2,4-difluorophenyl)-(3,5-dimethyl-1H-pyrazol-4-yl)diazene
SMILESCc1n[nH]c(C)c1/N=N/c1ccc(F)cc1F
InChIInChI=1S/C11H10F2N4/c1-6-11(7(2)15-14-6)17-16-10-4-3-8(12)5-9(10)13/h3-5H,1-2H3,(H,14,15)/b17-16+
InChIKeyZQRHPDOOYYTCTO-WUKNDPDISA-N
MW236.22 g/mol
LogP3.72
Rot. Bonds2

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

(2,4-difluorophenyl)-(3,5-dimethyl-1H-pyrazol-4-yl)diazene (PubChem CID 2797919) has the molecular formula C11H10F2N4 and a molecular weight of 236.22 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(3,5-dimethyl-1H-pyrazol-4-yl)diazene.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(3,5-dimethyl-1H-pyrazol-4-yl)diazene
PubChem CID2797919
Molecular FormulaC11H10F2N4
Molecular Weight236.22 g/mol
Exact Mass236.09
IUPAC Name(2,4-difluorophenyl)-(3,5-dimethyl-1H-pyrazol-4-yl)diazene
SMILESCc1n[nH]c(C)c1/N=N/c1ccc(F)cc1F
InChIInChI=1S/C11H10F2N4/c1-6-11(7(2)15-14-6)17-16-10-4-3-8(12)5-9(10)13/h3-5H,1-2H3,(H,14,15)/b17-16+
InChIKeyZQRHPDOOYYTCTO-WUKNDPDISA-N
XLogP3.72
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2,4-difluorophenyl)-(3,5-dimethyl-1H-pyrazol-4-yl)diazene?
The IUPAC name of (2,4-difluorophenyl)-(3,5-dimethyl-1H-pyrazol-4-yl)diazene (CID 2797919) is (2,4-difluorophenyl)-(3,5-dimethyl-1H-pyrazol-4-yl)diazene.
What is the SMILES notation for (2,4-difluorophenyl)-(3,5-dimethyl-1H-pyrazol-4-yl)diazene?
The canonical SMILES for (2,4-difluorophenyl)-(3,5-dimethyl-1H-pyrazol-4-yl)diazene is Cc1n[nH]c(C)c1/N=N/c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-(3,5-dimethyl-1H-pyrazol-4-yl)diazene?
The InChIKey is ZQRHPDOOYYTCTO-WUKNDPDISA-N. The full InChI is InChI=1S/C11H10F2N4/c1-6-11(7(2)15-14-6)17-16-10-4-3-8(12)5-9(10)13/h3-5H,1-2H3,(H,14,15)/b17-16+.
What are the key properties of (2,4-difluorophenyl)-(3,5-dimethyl-1H-pyrazol-4-yl)diazene?
(2,4-difluorophenyl)-(3,5-dimethyl-1H-pyrazol-4-yl)diazene has a molecular weight of 236.22 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(3,5-dimethyl-1H-pyrazol-4-yl)diazene is sourced from PubChem (CID 2797919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).