1-(4-bromophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole

C22H17BrN2O — CID 71568812

IUPAC1-(4-bromophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole
SMILESCOc1ccccc1-c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)n1
InChIInChI=1S/C22H17BrN2O/c1-26-22-10-6-5-9-19(22)20-15-21(16-7-3-2-4-8-16)25(24-20)18-13-11-17(23)12-14-18/h2-15H,1H3
InChIKeyWKYKVBGZFYXYIT-UHFFFAOYSA-N
MW405.30 g/mol
LogP5.98
Rot. Bonds4

About 1-(4-bromophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole

1-(4-bromophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole (PubChem CID 71568812) has the molecular formula C22H17BrN2O and a molecular weight of 405.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole
PubChem CID71568812
Molecular FormulaC22H17BrN2O
Molecular Weight405.30 g/mol
Exact Mass404.05
IUPAC Name1-(4-bromophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole
SMILESCOc1ccccc1-c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)n1
InChIInChI=1S/C22H17BrN2O/c1-26-22-10-6-5-9-19(22)20-15-21(16-7-3-2-4-8-16)25(24-20)18-13-11-17(23)12-14-18/h2-15H,1H3
InChIKeyWKYKVBGZFYXYIT-UHFFFAOYSA-N
XLogP5.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.30
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole
CID 71568811
3-(2-methoxyphenyl)-1-phenylpyrazol-5-amine
CID 16770102
3,5-bis(2-methoxyphenyl)-1-methylpyrazole
CID 19586953
3-(3-bromophenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 71713430
1,3,5-triphenylpyrazole
CID 626614
1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole
CID 71566841
3,5-bis(4-bromophenyl)-1-(3,4-dimethylphenyl)pyrazole
CID 19587087
4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444106
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147
4-[1-(4-aminophenyl)-3-phenylpyrazol-5-yl]aniline
CID 71342425
3,5-bis(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole
CID 19587583
2-[5-(4-tert-butylphenyl)-1-phenylpyrazol-3-yl]phenol
CID 135536817

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole?
The IUPAC name of 1-(4-bromophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole (CID 71568812) is 1-(4-bromophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole is COc1ccccc1-c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)n1.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole?
The InChIKey is WKYKVBGZFYXYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2O/c1-26-22-10-6-5-9-19(22)20-15-21(16-7-3-2-4-8-16)25(24-20)18-13-11-17(23)12-14-18/h2-15H,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole?
1-(4-bromophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole has a molecular weight of 405.30 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole is sourced from PubChem (CID 71568812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).