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

C24H20BrFN2O2 — CID 17025099

IUPAC4-bromo-1-[(2-fluorophenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole
SMILESCOc1cccc(-c2nn(Cc3ccccc3F)c(-c3cccc(OC)c3)c2Br)c1
InChIInChI=1S/C24H20BrFN2O2/c1-29-19-10-5-8-16(13-19)23-22(25)24(17-9-6-11-20(14-17)30-2)28(27-23)15-18-7-3-4-12-21(18)26/h3-14H,15H2,1-2H3
InChIKeyTUDPBLKDMBQWSF-UHFFFAOYSA-N
MW467.34 g/mol
LogP6.18
Rot. Bonds6

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

4-bromo-1-[(2-fluorophenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole (PubChem CID 17025099) has the molecular formula C24H20BrFN2O2 and a molecular weight of 467.34 g/mol. Its IUPAC name is 4-bromo-1-[(2-fluorophenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-[(2-fluorophenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole
PubChem CID17025099
Molecular FormulaC24H20BrFN2O2
Molecular Weight467.34 g/mol
Exact Mass466.07
IUPAC Name4-bromo-1-[(2-fluorophenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole
SMILESCOc1cccc(-c2nn(Cc3ccccc3F)c(-c3cccc(OC)c3)c2Br)c1
InChIInChI=1S/C24H20BrFN2O2/c1-29-19-10-5-8-16(13-19)23-22(25)24(17-9-6-11-20(14-17)30-2)28(27-23)15-18-7-3-4-12-21(18)26/h3-14H,15H2,1-2H3
InChIKeyTUDPBLKDMBQWSF-UHFFFAOYSA-N
XLogP6.18
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.34
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Fluorophenyl)-2-[(3-methoxyphenyl)methyl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 168296108
1-[1-[(2,4-difluorophenyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71532978
1-[1-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533024
1-[1-[(2,4-difluorophenyl)methyl]-3-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533027
2-(3-Methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71814124
5-(3-Methoxyphenyl)-1-methyl-3-phenylpyrazole
CID 44451823
1-[1-[(2,4-difluorophenyl)methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533081
3-(3,4-Dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-4-phenylpyrazole
CID 177650936
3-(3,4-Dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-5-phenylpyrazole
CID 177651639
1-Benzyl-5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)pyrazole
CID 66881156
2-[(3-Methoxyphenyl)methyl]-6-(1-methyl-3,5-diphenylpyrazol-4-yl)pyridazin-3-one
CID 9846503
4-(4-Fluorophenyl)-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)-2-oxidopyrazol-2-ium
CID 11113764

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(2-fluorophenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole?
The IUPAC name of 4-bromo-1-[(2-fluorophenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole (CID 17025099) is 4-bromo-1-[(2-fluorophenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole.
What is the SMILES notation for 4-bromo-1-[(2-fluorophenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole?
The canonical SMILES for 4-bromo-1-[(2-fluorophenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole is COc1cccc(-c2nn(Cc3ccccc3F)c(-c3cccc(OC)c3)c2Br)c1.
What is the InChIKey of 4-bromo-1-[(2-fluorophenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole?
The InChIKey is TUDPBLKDMBQWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrFN2O2/c1-29-19-10-5-8-16(13-19)23-22(25)24(17-9-6-11-20(14-17)30-2)28(27-23)15-18-7-3-4-12-21(18)26/h3-14H,15H2,1-2H3.
What are the key properties of 4-bromo-1-[(2-fluorophenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole?
4-bromo-1-[(2-fluorophenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole has a molecular weight of 467.34 g/mol, XLogP of 6.18, 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-fluorophenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole is sourced from PubChem (CID 17025099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).