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

C9H8ClFN6 — CID 135525489

IUPAC4-[(5-chloro-2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1cc(Cl)ccc1F
InChIInChI=1S/C9H8ClFN6/c10-4-1-2-5(11)6(3-4)14-15-7-8(12)16-17-9(7)13/h1-3H,(H5,12,13,16,17)/b15-14+
InChIKeySEIZYPMOSSAMTG-CCEZHUSRSA-N
MW254.66 g/mol
LogP2.78
Rot. Bonds2

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

4-[(5-chloro-2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 135525489) has the molecular formula C9H8ClFN6 and a molecular weight of 254.66 g/mol. Its IUPAC name is 4-[(5-chloro-2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[(5-chloro-2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID135525489
Molecular FormulaC9H8ClFN6
Molecular Weight254.66 g/mol
Exact Mass254.05
IUPAC Name4-[(5-chloro-2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1cc(Cl)ccc1F
InChIInChI=1S/C9H8ClFN6/c10-4-1-2-5(11)6(3-4)14-15-7-8(12)16-17-9(7)13/h1-3H,(H5,12,13,16,17)/b15-14+
InChIKeySEIZYPMOSSAMTG-CCEZHUSRSA-N
XLogP2.78
TPSA105.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.66
LogP ≤ 52.78
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-[(5-chloro-2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[(5-chloro-2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine (CID 135525489) is 4-[(5-chloro-2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[(5-chloro-2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[(5-chloro-2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine is Nc1n[nH]c(N)c1/N=N/c1cc(Cl)ccc1F.
What is the InChIKey of 4-[(5-chloro-2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is SEIZYPMOSSAMTG-CCEZHUSRSA-N. The full InChI is InChI=1S/C9H8ClFN6/c10-4-1-2-5(11)6(3-4)14-15-7-8(12)16-17-9(7)13/h1-3H,(H5,12,13,16,17)/b15-14+.
What are the key properties of 4-[(5-chloro-2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine?
4-[(5-chloro-2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine has a molecular weight of 254.66 g/mol, XLogP of 2.78, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 135525489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).