5-bromo-1-(4-fluorophenyl)-4-(2-phenylethyl)pyrazole

C17H14BrFN2 — CID 162406917

IUPAC5-bromo-1-(4-fluorophenyl)-4-(2-phenylethyl)pyrazole
SMILESFc1ccc(-n2ncc(CCc3ccccc3)c2Br)cc1
InChIInChI=1S/C17H14BrFN2/c18-17-14(7-6-13-4-2-1-3-5-13)12-20-21(17)16-10-8-15(19)9-11-16/h1-5,8-12H,6-7H2
InChIKeyQUEOHPWILUREGR-UHFFFAOYSA-N
MW345.22 g/mol
LogP4.56
Rot. Bonds4

About 5-bromo-1-(4-fluorophenyl)-4-(2-phenylethyl)pyrazole

5-bromo-1-(4-fluorophenyl)-4-(2-phenylethyl)pyrazole (PubChem CID 162406917) has the molecular formula C17H14BrFN2 and a molecular weight of 345.22 g/mol. Its IUPAC name is 5-bromo-1-(4-fluorophenyl)-4-(2-phenylethyl)pyrazole.

Molecular Properties

Compound Name5-bromo-1-(4-fluorophenyl)-4-(2-phenylethyl)pyrazole
PubChem CID162406917
Molecular FormulaC17H14BrFN2
Molecular Weight345.22 g/mol
Exact Mass344.03
IUPAC Name5-bromo-1-(4-fluorophenyl)-4-(2-phenylethyl)pyrazole
SMILESFc1ccc(-n2ncc(CCc3ccccc3)c2Br)cc1
InChIInChI=1S/C17H14BrFN2/c18-17-14(7-6-13-4-2-1-3-5-13)12-20-21(17)16-10-8-15(19)9-11-16/h1-5,8-12H,6-7H2
InChIKeyQUEOHPWILUREGR-UHFFFAOYSA-N
XLogP4.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
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5-(4-Fluorophenyl)-1-phenyl-1H-pyrazole
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1,3-Diphenyl-1H-pyrazole-4-carbaldehyde oxime
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4-(chloromethyl)-1,3-diphenyl-1H-pyrazole
CID 2333908
5-bromo-1-phenyl-1H-pyrazole
CID 2755878
3-Bromo-1-phenyl-1H-pyrazole
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1H-Pyrazole-4-carbonitrile, 1,3-diphenyl-
CID 700979
(5S)-1-(4-fluorophenyl)-1'-phenylspiro[4H-indazole-5,6'-cyclohexene]
CID 155540268
N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoroaniline
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1,3-Diphenyl-1H-pyrazole
CID 613284

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-fluorophenyl)-4-(2-phenylethyl)pyrazole?
The IUPAC name of 5-bromo-1-(4-fluorophenyl)-4-(2-phenylethyl)pyrazole (CID 162406917) is 5-bromo-1-(4-fluorophenyl)-4-(2-phenylethyl)pyrazole.
What is the SMILES notation for 5-bromo-1-(4-fluorophenyl)-4-(2-phenylethyl)pyrazole?
The canonical SMILES for 5-bromo-1-(4-fluorophenyl)-4-(2-phenylethyl)pyrazole is Fc1ccc(-n2ncc(CCc3ccccc3)c2Br)cc1.
What is the InChIKey of 5-bromo-1-(4-fluorophenyl)-4-(2-phenylethyl)pyrazole?
The InChIKey is QUEOHPWILUREGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2/c18-17-14(7-6-13-4-2-1-3-5-13)12-20-21(17)16-10-8-15(19)9-11-16/h1-5,8-12H,6-7H2.
What are the key properties of 5-bromo-1-(4-fluorophenyl)-4-(2-phenylethyl)pyrazole?
5-bromo-1-(4-fluorophenyl)-4-(2-phenylethyl)pyrazole has a molecular weight of 345.22 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-fluorophenyl)-4-(2-phenylethyl)pyrazole is sourced from PubChem (CID 162406917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).