4-[(3-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine

C15H13FN6 — CID 3343493

IUPAC4-[(3-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine
SMILESNc1nn(-c2ccccc2)c(N)c1/N=N/c1cccc(F)c1
InChIInChI=1S/C15H13FN6/c16-10-5-4-6-11(9-10)19-20-13-14(17)21-22(15(13)18)12-7-2-1-3-8-12/h1-9H,18H2,(H2,17,21)/b20-19+
InChIKeyCEIBCSUDTMIZAD-FMQUCBEESA-N
MW296.31 g/mol
LogP3.59
Rot. Bonds3

About 4-[(3-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine

4-[(3-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine (PubChem CID 3343493) has the molecular formula C15H13FN6 and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[(3-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine
PubChem CID3343493
Molecular FormulaC15H13FN6
Molecular Weight296.31 g/mol
Exact Mass296.12
IUPAC Name4-[(3-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine
SMILESNc1nn(-c2ccccc2)c(N)c1/N=N/c1cccc(F)c1
InChIInChI=1S/C15H13FN6/c16-10-5-4-6-11(9-10)19-20-13-14(17)21-22(15(13)18)12-7-2-1-3-8-12/h1-9H,18H2,(H2,17,21)/b20-19+
InChIKeyCEIBCSUDTMIZAD-FMQUCBEESA-N
XLogP3.59
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.59
H-Bond Donors ≤ 52
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-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine?
The IUPAC name of 4-[(3-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine (CID 3343493) is 4-[(3-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine.
What is the SMILES notation for 4-[(3-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine?
The canonical SMILES for 4-[(3-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine is Nc1nn(-c2ccccc2)c(N)c1/N=N/c1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine?
The InChIKey is CEIBCSUDTMIZAD-FMQUCBEESA-N. The full InChI is InChI=1S/C15H13FN6/c16-10-5-4-6-11(9-10)19-20-13-14(17)21-22(15(13)18)12-7-2-1-3-8-12/h1-9H,18H2,(H2,17,21)/b20-19+.
What are the key properties of 4-[(3-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine?
4-[(3-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine has a molecular weight of 296.31 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine is sourced from PubChem (CID 3343493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).