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

C9H9FN6 — CID 694534

IUPAC4-[(3-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1cccc(F)c1
InChIInChI=1S/C9H9FN6/c10-5-2-1-3-6(4-5)13-14-7-8(11)15-16-9(7)12/h1-4H,(H5,11,12,15,16)/b14-13+
InChIKeyIIMNZOCCIUNMSH-BUHFOSPRSA-N
MW220.21 g/mol
LogP2.13
Rot. Bonds2

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

4-[(3-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 694534) has the molecular formula C9H9FN6 and a molecular weight of 220.21 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[(3-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID694534
Molecular FormulaC9H9FN6
Molecular Weight220.21 g/mol
Exact Mass220.09
IUPAC Name4-[(3-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1cccc(F)c1
InChIInChI=1S/C9H9FN6/c10-5-2-1-3-6(4-5)13-14-7-8(11)15-16-9(7)12/h1-4H,(H5,11,12,15,16)/b14-13+
InChIKeyIIMNZOCCIUNMSH-BUHFOSPRSA-N
XLogP2.13
TPSA105.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 52.13
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

4-[(3-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 1494746
bis[3-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenyl]methanone
CID 135438535
4-[(3-methylsulfonylphenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135401185
4-[(2,4-difluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135520424
4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135744098
4-[(4-bromo-3-chlorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135414390
4-[(5-chloro-2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135525489
N-[[3-amino-4-[(3-fluorophenyl)diazenyl]-1H-pyrazol-5-yl]methyl]pyrazine-2-carboxamide
CID 174486144
4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine
CID 135510724
bis[4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenyl]methanone
CID 135461066
4-[(5-bromo-2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 162739702
(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)diazene
CID 166445658

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[(3-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine (CID 694534) is 4-[(3-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[(3-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[(3-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine is Nc1n[nH]c(N)c1/N=N/c1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is IIMNZOCCIUNMSH-BUHFOSPRSA-N. The full InChI is InChI=1S/C9H9FN6/c10-5-2-1-3-6(4-5)13-14-7-8(11)15-16-9(7)12/h1-4H,(H5,11,12,15,16)/b14-13+.
What are the key properties of 4-[(3-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine?
4-[(3-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine has a molecular weight of 220.21 g/mol, XLogP of 2.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 694534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).