5-(2-bromo-4-fluorophenyl)-1-(4-tert-butylphenyl)pyrazole

C19H18BrFN2 — CID 44632831

IUPAC5-(2-bromo-4-fluorophenyl)-1-(4-tert-butylphenyl)pyrazole
SMILESCC(C)(C)c1ccc(-n2nccc2-c2ccc(F)cc2Br)cc1
InChIInChI=1S/C19H18BrFN2/c1-19(2,3)13-4-7-15(8-5-13)23-18(10-11-22-23)16-9-6-14(21)12-17(16)20/h4-12H,1-3H3
InChIKeyKUHHDQSSQNBJIK-UHFFFAOYSA-N
MW373.27 g/mol
LogP5.74
Rot. Bonds2

About 5-(2-bromo-4-fluorophenyl)-1-(4-tert-butylphenyl)pyrazole

5-(2-bromo-4-fluorophenyl)-1-(4-tert-butylphenyl)pyrazole (PubChem CID 44632831) has the molecular formula C19H18BrFN2 and a molecular weight of 373.27 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorophenyl)-1-(4-tert-butylphenyl)pyrazole.

Molecular Properties

Compound Name5-(2-bromo-4-fluorophenyl)-1-(4-tert-butylphenyl)pyrazole
PubChem CID44632831
Molecular FormulaC19H18BrFN2
Molecular Weight373.27 g/mol
Exact Mass372.06
IUPAC Name5-(2-bromo-4-fluorophenyl)-1-(4-tert-butylphenyl)pyrazole
SMILESCC(C)(C)c1ccc(-n2nccc2-c2ccc(F)cc2Br)cc1
InChIInChI=1S/C19H18BrFN2/c1-19(2,3)13-4-7-15(8-5-13)23-18(10-11-22-23)16-9-6-14(21)12-17(16)20/h4-12H,1-3H3
InChIKeyKUHHDQSSQNBJIK-UHFFFAOYSA-N
XLogP5.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.27
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-Fluorophenyl)-1-phenyl-1H-pyrazole
CID 2768365
(5S)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,6'-cyclohexene]
CID 155540268
N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline
CID 66560343
N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoroaniline
CID 70692668
4-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-3-(4-fluorophenyl)-1-phenylpyrazole
CID 57394185
8-bromo-5,5-dimethyl-1-phenyl-4H-benzo[g]indazole
CID 60150541
3-(4-bromo-2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 9978021
4-[(3R)-5-(4-bromophenyl)-2-nitroso-3,4-dihydropyrazol-3-yl]-3-(4-fluorophenyl)-1-phenylpyrazole
CID 57401181
8-bromo-1-(4-fluorophenyl)-5,5-dimethyl-4H-benzo[g]indazole
CID 60150559
8-bromo-5,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-4H-benzo[g]indazole
CID 70687530
8-bromo-5,5-dimethyl-1-(4-methylphenyl)-4H-benzo[g]indazole
CID 70695910
4-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-3-(4-fluorophenyl)-1-phenyl-pyrazole
CID 70697008

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorophenyl)-1-(4-tert-butylphenyl)pyrazole?
The IUPAC name of 5-(2-bromo-4-fluorophenyl)-1-(4-tert-butylphenyl)pyrazole (CID 44632831) is 5-(2-bromo-4-fluorophenyl)-1-(4-tert-butylphenyl)pyrazole.
What is the SMILES notation for 5-(2-bromo-4-fluorophenyl)-1-(4-tert-butylphenyl)pyrazole?
The canonical SMILES for 5-(2-bromo-4-fluorophenyl)-1-(4-tert-butylphenyl)pyrazole is CC(C)(C)c1ccc(-n2nccc2-c2ccc(F)cc2Br)cc1.
What is the InChIKey of 5-(2-bromo-4-fluorophenyl)-1-(4-tert-butylphenyl)pyrazole?
The InChIKey is KUHHDQSSQNBJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN2/c1-19(2,3)13-4-7-15(8-5-13)23-18(10-11-22-23)16-9-6-14(21)12-17(16)20/h4-12H,1-3H3.
What are the key properties of 5-(2-bromo-4-fluorophenyl)-1-(4-tert-butylphenyl)pyrazole?
5-(2-bromo-4-fluorophenyl)-1-(4-tert-butylphenyl)pyrazole has a molecular weight of 373.27 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-fluorophenyl)-1-(4-tert-butylphenyl)pyrazole is sourced from PubChem (CID 44632831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).