4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole

C16H13BrN2O — CID 114798689

IUPAC4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole
SMILESCOc1cccc(-n2cc(-c3ccc(Br)cc3)cn2)c1
InChIInChI=1S/C16H13BrN2O/c1-20-16-4-2-3-15(9-16)19-11-13(10-18-19)12-5-7-14(17)8-6-12/h2-11H,1H3
InChIKeyKEBPBWUIVFWJTD-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.31
Rot. Bonds3

About 4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole

4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole (PubChem CID 114798689) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole
PubChem CID114798689
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole
SMILESCOc1cccc(-n2cc(-c3ccc(Br)cc3)cn2)c1
InChIInChI=1S/C16H13BrN2O/c1-20-16-4-2-3-15(9-16)19-11-13(10-18-19)12-5-7-14(17)8-6-12/h2-11H,1H3
InChIKeyKEBPBWUIVFWJTD-UHFFFAOYSA-N
XLogP4.31
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole
CID 117229524
4-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrazole
CID 107958445
6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline
CID 24745292
4-bromo-1-(3-methoxyphenyl)pyrazole;methane;3-[1-(3-methoxyphenyl)pyrazol-4-yl]pyridine;3-(4-pyridin-4-ylpyrazol-1-yl)phenol;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 160652186
[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate
CID 117230396
2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine
CID 117229758
1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine
CID 105489793
6,7-dimethoxy-4-[1-(3-methoxyphenyl)pyrazol-4-yl]cinnoline;formic acid
CID 162150119
anisole;1-bromo-4-(4-bromophenyl)benzene
CID 159969810
3,5-dimethyl-1-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenyl]pyrazole;platinum
CID 158313389
1-(3-bromophenyl)-4-[2,6-di(propan-2-yl)phenyl]pyrazole
CID 135344077
4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole
CID 3676782

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole?
The IUPAC name of 4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole (CID 114798689) is 4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole.
What is the SMILES notation for 4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole?
The canonical SMILES for 4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole is COc1cccc(-n2cc(-c3ccc(Br)cc3)cn2)c1.
What is the InChIKey of 4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole?
The InChIKey is KEBPBWUIVFWJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-20-16-4-2-3-15(9-16)19-11-13(10-18-19)12-5-7-14(17)8-6-12/h2-11H,1H3.
What are the key properties of 4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole?
4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole has a molecular weight of 329.20 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-(3-methoxyphenyl)pyrazole is sourced from PubChem (CID 114798689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).