5-fluoro-1-phenylpyrazole

C9H7FN2 — CID 112756756

IUPAC5-fluoro-1-phenylpyrazole
SMILESFc1ccnn1-c1ccccc1
InChIInChI=1S/C9H7FN2/c10-9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H
InChIKeyCTRUUJMPCDFVMP-UHFFFAOYSA-N
MW162.17 g/mol
LogP2.01
Rot. Bonds1

About 5-fluoro-1-phenylpyrazole

5-fluoro-1-phenylpyrazole (PubChem CID 112756756) has the molecular formula C9H7FN2 and a molecular weight of 162.17 g/mol. Its IUPAC name is 5-fluoro-1-phenylpyrazole.

Molecular Properties

Compound Name5-fluoro-1-phenylpyrazole
PubChem CID112756756
Molecular FormulaC9H7FN2
Molecular Weight162.17 g/mol
Exact Mass162.06
IUPAC Name5-fluoro-1-phenylpyrazole
SMILESFc1ccnn1-c1ccccc1
InChIInChI=1S/C9H7FN2/c10-9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H
InChIKeyCTRUUJMPCDFVMP-UHFFFAOYSA-N
XLogP2.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-phenylpyrazole?
The IUPAC name of 5-fluoro-1-phenylpyrazole (CID 112756756) is 5-fluoro-1-phenylpyrazole.
What is the SMILES notation for 5-fluoro-1-phenylpyrazole?
The canonical SMILES for 5-fluoro-1-phenylpyrazole is Fc1ccnn1-c1ccccc1.
What is the InChIKey of 5-fluoro-1-phenylpyrazole?
The InChIKey is CTRUUJMPCDFVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2/c10-9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 5-fluoro-1-phenylpyrazole?
5-fluoro-1-phenylpyrazole has a molecular weight of 162.17 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-phenylpyrazole is sourced from PubChem (CID 112756756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).