3-[3-[(2,3-difluorophenyl)methoxy]-4-methoxyphenyl]-1-[(2,3-difluorophenyl)methyl]pyrazole

C24H18F4N2O2 — CID 11476235

IUPAC3-[3-[(2,3-difluorophenyl)methoxy]-4-methoxyphenyl]-1-[(2,3-difluorophenyl)methyl]pyrazole
SMILESCOc1ccc(-c2ccn(Cc3cccc(F)c3F)n2)cc1OCc1cccc(F)c1F
InChIInChI=1S/C24H18F4N2O2/c1-31-21-9-8-15(12-22(21)32-14-17-5-3-7-19(26)24(17)28)20-10-11-30(29-20)13-16-4-2-6-18(25)23(16)27/h2-12H,13-14H2,1H3
InChIKeyLAHUVLGILSFHKS-UHFFFAOYSA-N
MW442.41 g/mol
LogP5.74
Rot. Bonds7

About 3-[3-[(2,3-difluorophenyl)methoxy]-4-methoxyphenyl]-1-[(2,3-difluorophenyl)methyl]pyrazole

3-[3-[(2,3-difluorophenyl)methoxy]-4-methoxyphenyl]-1-[(2,3-difluorophenyl)methyl]pyrazole (PubChem CID 11476235) has the molecular formula C24H18F4N2O2 and a molecular weight of 442.41 g/mol. Its IUPAC name is 3-[3-[(2,3-difluorophenyl)methoxy]-4-methoxyphenyl]-1-[(2,3-difluorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name3-[3-[(2,3-difluorophenyl)methoxy]-4-methoxyphenyl]-1-[(2,3-difluorophenyl)methyl]pyrazole
PubChem CID11476235
Molecular FormulaC24H18F4N2O2
Molecular Weight442.41 g/mol
Exact Mass442.13
IUPAC Name3-[3-[(2,3-difluorophenyl)methoxy]-4-methoxyphenyl]-1-[(2,3-difluorophenyl)methyl]pyrazole
SMILESCOc1ccc(-c2ccn(Cc3cccc(F)c3F)n2)cc1OCc1cccc(F)c1F
InChIInChI=1S/C24H18F4N2O2/c1-31-21-9-8-15(12-22(21)32-14-17-5-3-7-19(26)24(17)28)20-10-11-30(29-20)13-16-4-2-6-18(25)23(16)27/h2-12H,13-14H2,1H3
InChIKeyLAHUVLGILSFHKS-UHFFFAOYSA-N
XLogP5.74
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.41
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-[(2,3-difluorophenyl)methoxy]-4-methoxyphenyl]-1-[(2,3-difluorophenyl)methyl]pyrazole with MolForge

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Related Compounds

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3-Methoxy-4-[2-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]benzonitrile
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3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
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CID 11242617
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CID 141435674
4-(4-Methoxyphenyl)-1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazole
CID 141435684
4-(3-Fluoro-4-methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole
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CID 145989793

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2,3-difluorophenyl)methoxy]-4-methoxyphenyl]-1-[(2,3-difluorophenyl)methyl]pyrazole?
The IUPAC name of 3-[3-[(2,3-difluorophenyl)methoxy]-4-methoxyphenyl]-1-[(2,3-difluorophenyl)methyl]pyrazole (CID 11476235) is 3-[3-[(2,3-difluorophenyl)methoxy]-4-methoxyphenyl]-1-[(2,3-difluorophenyl)methyl]pyrazole.
What is the SMILES notation for 3-[3-[(2,3-difluorophenyl)methoxy]-4-methoxyphenyl]-1-[(2,3-difluorophenyl)methyl]pyrazole?
The canonical SMILES for 3-[3-[(2,3-difluorophenyl)methoxy]-4-methoxyphenyl]-1-[(2,3-difluorophenyl)methyl]pyrazole is COc1ccc(-c2ccn(Cc3cccc(F)c3F)n2)cc1OCc1cccc(F)c1F.
What is the InChIKey of 3-[3-[(2,3-difluorophenyl)methoxy]-4-methoxyphenyl]-1-[(2,3-difluorophenyl)methyl]pyrazole?
The InChIKey is LAHUVLGILSFHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N2O2/c1-31-21-9-8-15(12-22(21)32-14-17-5-3-7-19(26)24(17)28)20-10-11-30(29-20)13-16-4-2-6-18(25)23(16)27/h2-12H,13-14H2,1H3.
What are the key properties of 3-[3-[(2,3-difluorophenyl)methoxy]-4-methoxyphenyl]-1-[(2,3-difluorophenyl)methyl]pyrazole?
3-[3-[(2,3-difluorophenyl)methoxy]-4-methoxyphenyl]-1-[(2,3-difluorophenyl)methyl]pyrazole has a molecular weight of 442.41 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2,3-difluorophenyl)methoxy]-4-methoxyphenyl]-1-[(2,3-difluorophenyl)methyl]pyrazole is sourced from PubChem (CID 11476235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).