4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole

C16H12BrFN2 — CID 61096147

IUPAC4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole
SMILESFc1ccccc1C(Br)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H12BrFN2/c17-16(14-8-4-5-9-15(14)18)12-10-19-20(11-12)13-6-2-1-3-7-13/h1-11,16H
InChIKeyOVGRFBNIEAJGIY-UHFFFAOYSA-N
MW331.19 g/mol
LogP4.50
Rot. Bonds3

About 4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole

4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole (PubChem CID 61096147) has the molecular formula C16H12BrFN2 and a molecular weight of 331.19 g/mol. Its IUPAC name is 4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole.

Molecular Properties

Compound Name4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole
PubChem CID61096147
Molecular FormulaC16H12BrFN2
Molecular Weight331.19 g/mol
Exact Mass330.02
IUPAC Name4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole
SMILESFc1ccccc1C(Br)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H12BrFN2/c17-16(14-8-4-5-9-15(14)18)12-10-19-20(11-12)13-6-2-1-3-7-13/h1-11,16H
InChIKeyOVGRFBNIEAJGIY-UHFFFAOYSA-N
XLogP4.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-phenylpyrazole
CID 63441722
4-[bromo-(2-methylsulfanylphenyl)methyl]-1-phenylpyrazole
CID 79211846
(2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 43322500
1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486021
(2-bromo-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 81499833
(2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 62662141
4-[bromo-(5-chloro-2-methylphenyl)methyl]-1-phenylpyrazole
CID 82875056
4-[bromo-(4-bromophenyl)methyl]-1-phenylpyrazole
CID 63441319
4-[bromo-(4-iodophenyl)methyl]-1-phenylpyrazole
CID 63441044
4-[bromo-(2-bromo-5-methylphenyl)methyl]-1-phenylpyrazole
CID 81112348
(4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 43322483
(1-phenylpyrazol-4-yl)methanediol
CID 70397428

Frequently Asked Questions

What is the IUPAC name of 4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole?
The IUPAC name of 4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole (CID 61096147) is 4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole.
What is the SMILES notation for 4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole?
The canonical SMILES for 4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole is Fc1ccccc1C(Br)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole?
The InChIKey is OVGRFBNIEAJGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2/c17-16(14-8-4-5-9-15(14)18)12-10-19-20(11-12)13-6-2-1-3-7-13/h1-11,16H.
What are the key properties of 4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole?
4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole has a molecular weight of 331.19 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole is sourced from PubChem (CID 61096147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).