1-(4-azido-2-fluorophenyl)pyrazole

C9H6FN5 — CID 58758334

IUPAC1-(4-azido-2-fluorophenyl)pyrazole
SMILES[N-]=[N+]=Nc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C9H6FN5/c10-8-6-7(13-14-11)2-3-9(8)15-5-1-4-12-15/h1-6H
InChIKeyNWOZLXRSDGOOMT-UHFFFAOYSA-N
MW203.18 g/mol
LogP2.95
Rot. Bonds2

About 1-(4-azido-2-fluorophenyl)pyrazole

1-(4-azido-2-fluorophenyl)pyrazole (PubChem CID 58758334) has the molecular formula C9H6FN5 and a molecular weight of 203.18 g/mol. Its IUPAC name is 1-(4-azido-2-fluorophenyl)pyrazole.

Molecular Properties

Compound Name1-(4-azido-2-fluorophenyl)pyrazole
PubChem CID58758334
Molecular FormulaC9H6FN5
Molecular Weight203.18 g/mol
Exact Mass203.06
IUPAC Name1-(4-azido-2-fluorophenyl)pyrazole
SMILES[N-]=[N+]=Nc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C9H6FN5/c10-8-6-7(13-14-11)2-3-9(8)15-5-1-4-12-15/h1-6H
InChIKeyNWOZLXRSDGOOMT-UHFFFAOYSA-N
XLogP2.95
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-azido-2-fluorophenyl)pyrazole?
The IUPAC name of 1-(4-azido-2-fluorophenyl)pyrazole (CID 58758334) is 1-(4-azido-2-fluorophenyl)pyrazole.
What is the SMILES notation for 1-(4-azido-2-fluorophenyl)pyrazole?
The canonical SMILES for 1-(4-azido-2-fluorophenyl)pyrazole is [N-]=[N+]=Nc1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of 1-(4-azido-2-fluorophenyl)pyrazole?
The InChIKey is NWOZLXRSDGOOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN5/c10-8-6-7(13-14-11)2-3-9(8)15-5-1-4-12-15/h1-6H.
What are the key properties of 1-(4-azido-2-fluorophenyl)pyrazole?
1-(4-azido-2-fluorophenyl)pyrazole has a molecular weight of 203.18 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-azido-2-fluorophenyl)pyrazole is sourced from PubChem (CID 58758334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).