4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole

C25H23BrN2O3 — CID 19586223

IUPAC4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2nc(-c3cccc(OC)c3)c(Br)c2-c2cccc(OC)c2)cc1
InChIInChI=1S/C25H23BrN2O3/c1-29-20-12-10-17(11-13-20)16-28-25(19-7-5-9-22(15-19)31-3)23(26)24(27-28)18-6-4-8-21(14-18)30-2/h4-15H,16H2,1-3H3
InChIKeyFGTAUNUUNZUAMB-UHFFFAOYSA-N
MW479.37 g/mol
LogP6.05
Rot. Bonds7

About 4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole

4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole (PubChem CID 19586223) has the molecular formula C25H23BrN2O3 and a molecular weight of 479.37 g/mol. Its IUPAC name is 4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
PubChem CID19586223
Molecular FormulaC25H23BrN2O3
Molecular Weight479.37 g/mol
Exact Mass478.09
IUPAC Name4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2nc(-c3cccc(OC)c3)c(Br)c2-c2cccc(OC)c2)cc1
InChIInChI=1S/C25H23BrN2O3/c1-29-20-12-10-17(11-13-20)16-28-25(19-7-5-9-22(15-19)31-3)23(26)24(27-28)18-6-4-8-21(14-18)30-2/h4-15H,16H2,1-3H3
InChIKeyFGTAUNUUNZUAMB-UHFFFAOYSA-N
XLogP6.05
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.37
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-bromo-3,5-bis(4-methoxyphenyl)pyrazole
CID 19586324
4-bromo-1-[(4-methoxyphenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole
CID 19586803
4-bromo-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole
CID 17025077
3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole
CID 17025240
4-chloro-1-[(4-ethenylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole
CID 17025443
4-bromo-1-cyclopentyl-3,5-bis(3-methoxyphenyl)pyrazole
CID 19587192
1-[5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-4-yl]ethanone
CID 54383318
3,5-bis(3-methoxyphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole
CID 19586247
4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole
CID 19586315
4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole
CID 17025024
5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole
CID 162528409
[1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82072444

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole?
The IUPAC name of 4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole (CID 19586223) is 4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole?
The canonical SMILES for 4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole is COc1ccc(Cn2nc(-c3cccc(OC)c3)c(Br)c2-c2cccc(OC)c2)cc1.
What is the InChIKey of 4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole?
The InChIKey is FGTAUNUUNZUAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN2O3/c1-29-20-12-10-17(11-13-20)16-28-25(19-7-5-9-22(15-19)31-3)23(26)24(27-28)18-6-4-8-21(14-18)30-2/h4-15H,16H2,1-3H3.
What are the key properties of 4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole?
4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole has a molecular weight of 479.37 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 19586223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).