4-bromo-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole

C26H25BrN2O2 — CID 17025077

IUPAC4-bromo-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole
SMILESCOc1cccc(-c2nn(Cc3cc(C)ccc3C)c(-c3cccc(OC)c3)c2Br)c1
InChIInChI=1S/C26H25BrN2O2/c1-17-11-12-18(2)21(13-17)16-29-26(20-8-6-10-23(15-20)31-4)24(27)25(28-29)19-7-5-9-22(14-19)30-3/h5-15H,16H2,1-4H3
InChIKeyFLTZFPHZBPUHSX-UHFFFAOYSA-N
MW477.40 g/mol
LogP6.66
Rot. Bonds6

About 4-bromo-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole

4-bromo-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole (PubChem CID 17025077) has the molecular formula C26H25BrN2O2 and a molecular weight of 477.40 g/mol. Its IUPAC name is 4-bromo-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole
PubChem CID17025077
Molecular FormulaC26H25BrN2O2
Molecular Weight477.40 g/mol
Exact Mass476.11
IUPAC Name4-bromo-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole
SMILESCOc1cccc(-c2nn(Cc3cc(C)ccc3C)c(-c3cccc(OC)c3)c2Br)c1
InChIInChI=1S/C26H25BrN2O2/c1-17-11-12-18(2)21(13-17)16-29-26(20-8-6-10-23(15-20)31-4)24(27)25(28-29)19-7-5-9-22(14-19)30-3/h5-15H,16H2,1-4H3
InChIKeyFLTZFPHZBPUHSX-UHFFFAOYSA-N
XLogP6.66
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.40
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3,5-bis(3,4-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]pyrazole
CID 17025643
4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19586223
3,5-bis(3-methoxyphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole
CID 19586247
4-chloro-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole
CID 19586275
4-bromo-1-[(4-methoxyphenyl)methyl]-3,5-bis(4-methylphenyl)pyrazole
CID 19586803
4-bromo-1-cyclopentyl-3,5-bis(3-methoxyphenyl)pyrazole
CID 19587192
2-(3-methoxyphenyl)-1,4-dimethylbenzene
CID 66641424
3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole
CID 17025240
1-benzyl-4-bromo-3,5-bis(4-methoxyphenyl)pyrazole
CID 19586324
3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole
CID 19587307
1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-fluorophenyl)-4-methylpyrazole
CID 19587568
4-bromo-1-[(2-chloro-4-fluorophenyl)methyl]-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 17025532

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole?
The IUPAC name of 4-bromo-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole (CID 17025077) is 4-bromo-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole.
What is the SMILES notation for 4-bromo-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole?
The canonical SMILES for 4-bromo-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole is COc1cccc(-c2nn(Cc3cc(C)ccc3C)c(-c3cccc(OC)c3)c2Br)c1.
What is the InChIKey of 4-bromo-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole?
The InChIKey is FLTZFPHZBPUHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrN2O2/c1-17-11-12-18(2)21(13-17)16-29-26(20-8-6-10-23(15-20)31-4)24(27)25(28-29)19-7-5-9-22(14-19)30-3/h5-15H,16H2,1-4H3.
What are the key properties of 4-bromo-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole?
4-bromo-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole has a molecular weight of 477.40 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole is sourced from PubChem (CID 17025077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).