2-fluoro-4-phenyl-3,4-dihydropyrazole

C9H9FN2 — CID 174948673

IUPAC2-fluoro-4-phenyl-3,4-dihydropyrazole
SMILESFN1CC(c2ccccc2)C=N1
InChIInChI=1S/C9H9FN2/c10-12-7-9(6-11-12)8-4-2-1-3-5-8/h1-6,9H,7H2
InChIKeyHPUXSKSAUJTMEQ-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.96
Rot. Bonds1

About 2-fluoro-4-phenyl-3,4-dihydropyrazole

2-fluoro-4-phenyl-3,4-dihydropyrazole (PubChem CID 174948673) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-fluoro-4-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-fluoro-4-phenyl-3,4-dihydropyrazole
PubChem CID174948673
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name2-fluoro-4-phenyl-3,4-dihydropyrazole
SMILESFN1CC(c2ccccc2)C=N1
InChIInChI=1S/C9H9FN2/c10-12-7-9(6-11-12)8-4-2-1-3-5-8/h1-6,9H,7H2
InChIKeyHPUXSKSAUJTMEQ-UHFFFAOYSA-N
XLogP1.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-phenyl-3,4-dihydropyrazole?
The IUPAC name of 2-fluoro-4-phenyl-3,4-dihydropyrazole (CID 174948673) is 2-fluoro-4-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-fluoro-4-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 2-fluoro-4-phenyl-3,4-dihydropyrazole is FN1CC(c2ccccc2)C=N1.
What is the InChIKey of 2-fluoro-4-phenyl-3,4-dihydropyrazole?
The InChIKey is HPUXSKSAUJTMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c10-12-7-9(6-11-12)8-4-2-1-3-5-8/h1-6,9H,7H2.
What are the key properties of 2-fluoro-4-phenyl-3,4-dihydropyrazole?
2-fluoro-4-phenyl-3,4-dihydropyrazole has a molecular weight of 164.18 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 174948673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).