4-[[3-(trifluoromethoxy)phenyl]diazenyl]-1H-pyrazole-3,5-diamine

C10H9F3N6O — CID 135409291

IUPAC4-[[3-(trifluoromethoxy)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H9F3N6O/c11-10(12,13)20-6-3-1-2-5(4-6)16-17-7-8(14)18-19-9(7)15/h1-4H,(H5,14,15,18,19)/b17-16+
InChIKeySJJDJVUPGSFANY-WUKNDPDISA-N
MW286.22 g/mol
LogP2.89
Rot. Bonds3

About 4-[[3-(trifluoromethoxy)phenyl]diazenyl]-1H-pyrazole-3,5-diamine

4-[[3-(trifluoromethoxy)phenyl]diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 135409291) has the molecular formula C10H9F3N6O and a molecular weight of 286.22 g/mol. Its IUPAC name is 4-[[3-(trifluoromethoxy)phenyl]diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[[3-(trifluoromethoxy)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID135409291
Molecular FormulaC10H9F3N6O
Molecular Weight286.22 g/mol
Exact Mass286.08
IUPAC Name4-[[3-(trifluoromethoxy)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H9F3N6O/c11-10(12,13)20-6-3-1-2-5(4-6)16-17-7-8(14)18-19-9(7)15/h1-4H,(H5,14,15,18,19)/b17-16+
InChIKeySJJDJVUPGSFANY-WUKNDPDISA-N
XLogP2.89
TPSA114.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.89
H-Bond Donors ≤ 53
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 4-[[3-(trifluoromethoxy)phenyl]diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[[3-(trifluoromethoxy)phenyl]diazenyl]-1H-pyrazole-3,5-diamine (CID 135409291) is 4-[[3-(trifluoromethoxy)phenyl]diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[[3-(trifluoromethoxy)phenyl]diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[[3-(trifluoromethoxy)phenyl]diazenyl]-1H-pyrazole-3,5-diamine is Nc1n[nH]c(N)c1/N=N/c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 4-[[3-(trifluoromethoxy)phenyl]diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is SJJDJVUPGSFANY-WUKNDPDISA-N. The full InChI is InChI=1S/C10H9F3N6O/c11-10(12,13)20-6-3-1-2-5(4-6)16-17-7-8(14)18-19-9(7)15/h1-4H,(H5,14,15,18,19)/b17-16+.
What are the key properties of 4-[[3-(trifluoromethoxy)phenyl]diazenyl]-1H-pyrazole-3,5-diamine?
4-[[3-(trifluoromethoxy)phenyl]diazenyl]-1H-pyrazole-3,5-diamine has a molecular weight of 286.22 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethoxy)phenyl]diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 135409291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).