4-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine

C10H9F3N6 — CID 1492558

IUPAC4-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F3N6/c11-10(12,13)5-3-1-2-4-6(5)16-17-7-8(14)18-19-9(7)15/h1-4H,(H5,14,15,18,19)/b17-16+
InChIKeyFBYZILOSSYFJET-WUKNDPDISA-N
MW270.22 g/mol
LogP3.01
Rot. Bonds2

About 4-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine

4-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 1492558) has the molecular formula C10H9F3N6 and a molecular weight of 270.22 g/mol. Its IUPAC name is 4-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID1492558
Molecular FormulaC10H9F3N6
Molecular Weight270.22 g/mol
Exact Mass270.08
IUPAC Name4-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F3N6/c11-10(12,13)5-3-1-2-4-6(5)16-17-7-8(14)18-19-9(7)15/h1-4H,(H5,14,15,18,19)/b17-16+
InChIKeyFBYZILOSSYFJET-WUKNDPDISA-N
XLogP3.01
TPSA105.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 53.01
H-Bond Donors ≤ 53
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

3-Amino-5-phenylpyrazole
CID 136655
4-{(E)-[3-(trifluoromethyl)phenyl]diazenyl}-1H-pyrazole-3,5-diamine
CID 535910
4-[(4-Fluorophenyl)hydrazinylidene]pyrazole-3,5-diamine
CID 694527
4-o-Tolylazo-1H-pyrazole-3,5-diamine
CID 3146193
4-(phenyldiazenyl)-1H-pyrazole-3,5-diamine
CID 242623
4-m-Tolylazo-1H-pyrazole-3,5-diamine
CID 3119484
4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 4737235
4-[(4-Methylphenyl)hydrazinylidene]pyrazole-3,5-diamine
CID 228621
4-[(E)-(2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 694525
3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-amine
CID 21897978
5-(4-Amino-phenyl)-2H-pyrazol-3-ylamine
CID 780877
5-(3-Fluorophenyl)-1H-pyrazol-3-amine
CID 18523990

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine (CID 1492558) is 4-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine is Nc1n[nH]c(N)c1/N=N/c1ccccc1C(F)(F)F.
What is the InChIKey of 4-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is FBYZILOSSYFJET-WUKNDPDISA-N. The full InChI is InChI=1S/C10H9F3N6/c11-10(12,13)5-3-1-2-4-6(5)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-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine?
4-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine has a molecular weight of 270.22 g/mol, XLogP of 3.01, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 1492558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).