4-[(2-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine

C15H13FN6 — CID 1494776

IUPAC4-[(2-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine
SMILESNc1nn(-c2ccccc2)c(N)c1/N=N/c1ccccc1F
InChIInChI=1S/C15H13FN6/c16-11-8-4-5-9-12(11)19-20-13-14(17)21-22(15(13)18)10-6-2-1-3-7-10/h1-9H,18H2,(H2,17,21)/b20-19+
InChIKeyWERYBLQJNJVGPJ-FMQUCBEESA-N
MW296.31 g/mol
LogP3.59
Rot. Bonds3

About 4-[(2-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine

4-[(2-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine (PubChem CID 1494776) has the molecular formula C15H13FN6 and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine
PubChem CID1494776
Molecular FormulaC15H13FN6
Molecular Weight296.31 g/mol
Exact Mass296.12
IUPAC Name4-[(2-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine
SMILESNc1nn(-c2ccccc2)c(N)c1/N=N/c1ccccc1F
InChIInChI=1S/C15H13FN6/c16-11-8-4-5-9-12(11)19-20-13-14(17)21-22(15(13)18)10-6-2-1-3-7-10/h1-9H,18H2,(H2,17,21)/b20-19+
InChIKeyWERYBLQJNJVGPJ-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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Related Compounds

5-Amino-3-methyl-1-phenylpyrazole
CID 70801
ML297
CID 56642816
4-(3-Fluoro-phenylazo)-1-phenyl-1H-pyrazole-3,5-diamine
CID 3343493
ST001718
CID 608691
1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 2380354
3-amino-5-imino-1-phenyl-1,5-dihydro-4H-pyrazol-4-one (4-methylphenyl)hydrazone
CID 228624
5-Imino-1-phenyl-4-(phenylhydrazinylidene)-3-pyrazolamine
CID 318030
3-methyl-N,1-diphenyl-1H-pyrazol-5-amine
CID 867748
5-Methyl-2-phenyl-4-phenylazo-2H-pyrazol-3-ylamine
CID 3112358
3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 3352034
(4-Chlorophenyl)[(5-imino-3-methyl-1-phenyl(1,2-diazolin-4-ylidene))azamethyl] amine
CID 4152276
1-(3,4-Difluorophenyl)-3-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]urea
CID 71812407

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine?
The IUPAC name of 4-[(2-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine (CID 1494776) is 4-[(2-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine.
What is the SMILES notation for 4-[(2-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine?
The canonical SMILES for 4-[(2-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine is Nc1nn(-c2ccccc2)c(N)c1/N=N/c1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine?
The InChIKey is WERYBLQJNJVGPJ-FMQUCBEESA-N. The full InChI is InChI=1S/C15H13FN6/c16-11-8-4-5-9-12(11)19-20-13-14(17)21-22(15(13)18)10-6-2-1-3-7-10/h1-9H,18H2,(H2,17,21)/b20-19+.
What are the key properties of 4-[(2-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine?
4-[(2-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-[(2-fluorophenyl)diazenyl]-1-phenylpyrazole-3,5-diamine is sourced from PubChem (CID 1494776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).