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

C16H12BrFN2O — CID 44632830

IUPAC5-(2-bromo-4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-n2nccc2-c2ccc(F)cc2Br)cc1
InChIInChI=1S/C16H12BrFN2O/c1-21-13-5-3-12(4-6-13)20-16(8-9-19-20)14-7-2-11(18)10-15(14)17/h2-10H,1H3
InChIKeyBJOGCDSRCAJALA-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.45
Rot. Bonds3

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

5-(2-bromo-4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole (PubChem CID 44632830) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name5-(2-bromo-4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole
PubChem CID44632830
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name5-(2-bromo-4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-n2nccc2-c2ccc(F)cc2Br)cc1
InChIInChI=1S/C16H12BrFN2O/c1-21-13-5-3-12(4-6-13)20-16(8-9-19-20)14-7-2-11(18)10-15(14)17/h2-10H,1H3
InChIKeyBJOGCDSRCAJALA-UHFFFAOYSA-N
XLogP4.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Bromophenyl)-2-(4-methoxyphenyl)-7-methylpyrazolo[3,4-d]pyridazine
CID 1214672
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-methylpiperidin-4-amine
CID 16187227
3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 16189228
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-methoxy-2-butanamine
CID 16189801
2-[{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}(methyl)amino]ethanol
CID 16192378
(5S)-1-(4-fluorophenyl)-1'-(4-methoxyphenyl)spiro[4H-indazole-5,6'-cyclohexene]
CID 155538097
4-bromo-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 70690533
(Z)-3-(3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl)-N-(4-methoxyphenyl)acrylamide
CID 2423676
1-[[3-(3-Fluorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]methyl]-4-methoxypiperidine
CID 16190136
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-methyltetrahydro-2H-pyran-4-amine
CID 16190912
1-[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]-N-(tetrahydro-2H-pyran-4-ylmethyl)methanamine
CID 16192017
1-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-methyl-1,4-diazepane
CID 70735039

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole?
The IUPAC name of 5-(2-bromo-4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole (CID 44632830) is 5-(2-bromo-4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole.
What is the SMILES notation for 5-(2-bromo-4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole?
The canonical SMILES for 5-(2-bromo-4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole is COc1ccc(-n2nccc2-c2ccc(F)cc2Br)cc1.
What is the InChIKey of 5-(2-bromo-4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole?
The InChIKey is BJOGCDSRCAJALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c1-21-13-5-3-12(4-6-13)20-16(8-9-19-20)14-7-2-11(18)10-15(14)17/h2-10H,1H3.
What are the key properties of 5-(2-bromo-4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole?
5-(2-bromo-4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole has a molecular weight of 347.19 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole is sourced from PubChem (CID 44632830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).