3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole

C23H19FN2O — CID 141039468

IUPAC3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole
SMILESFc1ccc(-c2ccn(Cc3ccc(OCc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C23H19FN2O/c24-21-10-8-20(9-11-21)23-14-15-26(25-23)16-18-6-12-22(13-7-18)27-17-19-4-2-1-3-5-19/h1-15H,16-17H2
InChIKeyBYNNGRTYKHCXSK-UHFFFAOYSA-N
MW358.42 g/mol
LogP5.32
Rot. Bonds6

About 3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole

3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole (PubChem CID 141039468) has the molecular formula C23H19FN2O and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole
PubChem CID141039468
Molecular FormulaC23H19FN2O
Molecular Weight358.42 g/mol
Exact Mass358.15
IUPAC Name3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole
SMILESFc1ccc(-c2ccn(Cc3ccc(OCc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C23H19FN2O/c24-21-10-8-20(9-11-21)23-14-15-26(25-23)16-18-6-12-22(13-7-18)27-17-19-4-2-1-3-5-19/h1-15H,16-17H2
InChIKeyBYNNGRTYKHCXSK-UHFFFAOYSA-N
XLogP5.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol
CID 69423063
4-[(3-phenylpyrazol-1-yl)methyl]phenol
CID 59752932
2-methyl-5-[1-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pyridine;2-methyl-5-[2-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pyridine
CID 44530458
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121051555
1-[(4-chlorophenyl)methyl]-3-(4-phenylmethoxyphenyl)pyrrole
CID 141148615
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
1-benzyl-4-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]piperazine
CID 58422761
1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
CID 22280023
2-(1-benzylpyrazol-3-yl)pyridine
CID 71374413
3-(1-benzylpyrazol-3-yl)pyridine
CID 99964671
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole?
The IUPAC name of 3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole (CID 141039468) is 3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole is Fc1ccc(-c2ccn(Cc3ccc(OCc4ccccc4)cc3)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole?
The InChIKey is BYNNGRTYKHCXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O/c24-21-10-8-20(9-11-21)23-14-15-26(25-23)16-18-6-12-22(13-7-18)27-17-19-4-2-1-3-5-19/h1-15H,16-17H2.
What are the key properties of 3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole?
3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole has a molecular weight of 358.42 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 141039468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).