5-(4-bromophenyl)-4-fluoro-1H-pyrazole

C9H6BrFN2 — CID 136576038

IUPAC5-(4-bromophenyl)-4-fluoro-1H-pyrazole
SMILESFc1cn[nH]c1-c1ccc(Br)cc1
InChIInChI=1S/C9H6BrFN2/c10-7-3-1-6(2-4-7)9-8(11)5-12-13-9/h1-5H,(H,12,13)
InChIKeyBKPMVPDFMFVTHM-UHFFFAOYSA-N
MW241.06 g/mol
LogP2.98
Rot. Bonds1

About 5-(4-bromophenyl)-4-fluoro-1H-pyrazole

5-(4-bromophenyl)-4-fluoro-1H-pyrazole (PubChem CID 136576038) has the molecular formula C9H6BrFN2 and a molecular weight of 241.06 g/mol. Its IUPAC name is 5-(4-bromophenyl)-4-fluoro-1H-pyrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-4-fluoro-1H-pyrazole
PubChem CID136576038
Molecular FormulaC9H6BrFN2
Molecular Weight241.06 g/mol
Exact Mass239.97
IUPAC Name5-(4-bromophenyl)-4-fluoro-1H-pyrazole
SMILESFc1cn[nH]c1-c1ccc(Br)cc1
InChIInChI=1S/C9H6BrFN2/c10-7-3-1-6(2-4-7)9-8(11)5-12-13-9/h1-5H,(H,12,13)
InChIKeyBKPMVPDFMFVTHM-UHFFFAOYSA-N
XLogP2.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.06
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-4-fluoro-1H-pyrazole?
The IUPAC name of 5-(4-bromophenyl)-4-fluoro-1H-pyrazole (CID 136576038) is 5-(4-bromophenyl)-4-fluoro-1H-pyrazole.
What is the SMILES notation for 5-(4-bromophenyl)-4-fluoro-1H-pyrazole?
The canonical SMILES for 5-(4-bromophenyl)-4-fluoro-1H-pyrazole is Fc1cn[nH]c1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-4-fluoro-1H-pyrazole?
The InChIKey is BKPMVPDFMFVTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2/c10-7-3-1-6(2-4-7)9-8(11)5-12-13-9/h1-5H,(H,12,13).
What are the key properties of 5-(4-bromophenyl)-4-fluoro-1H-pyrazole?
5-(4-bromophenyl)-4-fluoro-1H-pyrazole has a molecular weight of 241.06 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-4-fluoro-1H-pyrazole is sourced from PubChem (CID 136576038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).