4-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-phenylpyrazole

C16H11Br2FN2 — CID 63441722

IUPAC4-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-phenylpyrazole
SMILESFc1ccc(Br)cc1C(Br)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H11Br2FN2/c17-12-6-7-15(19)14(8-12)16(18)11-9-20-21(10-11)13-4-2-1-3-5-13/h1-10,16H
InChIKeyABGXJOXIVZXZTR-UHFFFAOYSA-N
MW410.08 g/mol
LogP5.26
Rot. Bonds3

About 4-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-phenylpyrazole

4-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-phenylpyrazole (PubChem CID 63441722) has the molecular formula C16H11Br2FN2 and a molecular weight of 410.08 g/mol. Its IUPAC name is 4-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-phenylpyrazole.

Molecular Properties

Compound Name4-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-phenylpyrazole
PubChem CID63441722
Molecular FormulaC16H11Br2FN2
Molecular Weight410.08 g/mol
Exact Mass407.93
IUPAC Name4-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-phenylpyrazole
SMILESFc1ccc(Br)cc1C(Br)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H11Br2FN2/c17-12-6-7-15(19)14(8-12)16(18)11-9-20-21(10-11)13-4-2-1-3-5-13/h1-10,16H
InChIKeyABGXJOXIVZXZTR-UHFFFAOYSA-N
XLogP5.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.08
LogP ≤ 55.26
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-(2-fluorophenyl)methyl]-1-phenylpyrazole
CID 61096147
4-[bromo-(4-bromophenyl)methyl]-1-phenylpyrazole
CID 63441319
(4-bromo-2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 43322483
4-[bromo-(5-chloro-2-methylphenyl)methyl]-1-phenylpyrazole
CID 82875056
4-[bromo-(2-methylsulfanylphenyl)methyl]-1-phenylpyrazole
CID 79211846
4-[bromo-(2-bromo-5-methylphenyl)methyl]-1-phenylpyrazole
CID 81112348
(2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 43322500
4-[bromo-(4-iodophenyl)methyl]-1-phenylpyrazole
CID 63441044
(2-bromo-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 81499833
(4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 63210077
1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486021
(1-phenylpyrazol-4-yl)methanediol
CID 70397428

Frequently Asked Questions

What is the IUPAC name of 4-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-phenylpyrazole?
The IUPAC name of 4-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-phenylpyrazole (CID 63441722) is 4-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-phenylpyrazole.
What is the SMILES notation for 4-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-phenylpyrazole?
The canonical SMILES for 4-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-phenylpyrazole is Fc1ccc(Br)cc1C(Br)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-phenylpyrazole?
The InChIKey is ABGXJOXIVZXZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2FN2/c17-12-6-7-15(19)14(8-12)16(18)11-9-20-21(10-11)13-4-2-1-3-5-13/h1-10,16H.
What are the key properties of 4-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-phenylpyrazole?
4-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-phenylpyrazole has a molecular weight of 410.08 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo-(5-bromo-2-fluorophenyl)methyl]-1-phenylpyrazole is sourced from PubChem (CID 63441722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).