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

C24H20F2N2O2 — CID 11246762

IUPAC1-[(2,3-difluorophenyl)methyl]-3-(4-methoxy-3-phenylmethoxyphenyl)pyrazole
SMILESCOc1ccc(-c2ccn(Cc3cccc(F)c3F)n2)cc1OCc1ccccc1
InChIInChI=1S/C24H20F2N2O2/c1-29-22-11-10-18(14-23(22)30-16-17-6-3-2-4-7-17)21-12-13-28(27-21)15-19-8-5-9-20(25)24(19)26/h2-14H,15-16H2,1H3
InChIKeyFLOYDQRTSRGVKQ-UHFFFAOYSA-N
MW406.43 g/mol
LogP5.46
Rot. Bonds7

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

1-[(2,3-difluorophenyl)methyl]-3-(4-methoxy-3-phenylmethoxyphenyl)pyrazole (PubChem CID 11246762) has the molecular formula C24H20F2N2O2 and a molecular weight of 406.43 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-3-(4-methoxy-3-phenylmethoxyphenyl)pyrazole.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-3-(4-methoxy-3-phenylmethoxyphenyl)pyrazole
PubChem CID11246762
Molecular FormulaC24H20F2N2O2
Molecular Weight406.43 g/mol
Exact Mass406.15
IUPAC Name1-[(2,3-difluorophenyl)methyl]-3-(4-methoxy-3-phenylmethoxyphenyl)pyrazole
SMILESCOc1ccc(-c2ccn(Cc3cccc(F)c3F)n2)cc1OCc1ccccc1
InChIInChI=1S/C24H20F2N2O2/c1-29-22-11-10-18(14-23(22)30-16-17-6-3-2-4-7-17)21-12-13-28(27-21)15-19-8-5-9-20(25)24(19)26/h2-14H,15-16H2,1H3
InChIKeyFLOYDQRTSRGVKQ-UHFFFAOYSA-N
XLogP5.46
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.43
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-(4-methoxy-3-phenylmethoxyphenyl)pyrazole?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-(4-methoxy-3-phenylmethoxyphenyl)pyrazole (CID 11246762) is 1-[(2,3-difluorophenyl)methyl]-3-(4-methoxy-3-phenylmethoxyphenyl)pyrazole.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-3-(4-methoxy-3-phenylmethoxyphenyl)pyrazole?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-3-(4-methoxy-3-phenylmethoxyphenyl)pyrazole is COc1ccc(-c2ccn(Cc3cccc(F)c3F)n2)cc1OCc1ccccc1.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-3-(4-methoxy-3-phenylmethoxyphenyl)pyrazole?
The InChIKey is FLOYDQRTSRGVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O2/c1-29-22-11-10-18(14-23(22)30-16-17-6-3-2-4-7-17)21-12-13-28(27-21)15-19-8-5-9-20(25)24(19)26/h2-14H,15-16H2,1H3.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-3-(4-methoxy-3-phenylmethoxyphenyl)pyrazole?
1-[(2,3-difluorophenyl)methyl]-3-(4-methoxy-3-phenylmethoxyphenyl)pyrazole has a molecular weight of 406.43 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-3-(4-methoxy-3-phenylmethoxyphenyl)pyrazole is sourced from PubChem (CID 11246762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).