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

C9H9FN6 — CID 694525

IUPAC4-[(2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1ccccc1F
InChIInChI=1S/C9H9FN6/c10-5-3-1-2-4-6(5)13-14-7-8(11)15-16-9(7)12/h1-4H,(H5,11,12,15,16)/b14-13+
InChIKeyMHCSFMGVRGGIQV-BUHFOSPRSA-N
MW220.21 g/mol
LogP2.13
Rot. Bonds2

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

4-[(2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 694525) has the molecular formula C9H9FN6 and a molecular weight of 220.21 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID694525
Molecular FormulaC9H9FN6
Molecular Weight220.21 g/mol
Exact Mass220.09
IUPAC Name4-[(2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1ccccc1F
InChIInChI=1S/C9H9FN6/c10-5-3-1-2-4-6(5)13-14-7-8(11)15-16-9(7)12/h1-4H,(H5,11,12,15,16)/b14-13+
InChIKeyMHCSFMGVRGGIQV-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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[(2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine (CID 694525) is 4-[(2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[(2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[(2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine is Nc1n[nH]c(N)c1/N=N/c1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is MHCSFMGVRGGIQV-BUHFOSPRSA-N. The full InChI is InChI=1S/C9H9FN6/c10-5-3-1-2-4-6(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-[(2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine?
4-[(2-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-[(2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 694525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).