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

C23H18F2N2O — CID 19587601

IUPAC3,5-bis(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrazole
SMILESCOc1cccc(Cn2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)c1
InChIInChI=1S/C23H18F2N2O/c1-28-21-4-2-3-16(13-21)15-27-23(18-7-11-20(25)12-8-18)14-22(26-27)17-5-9-19(24)10-6-17/h2-14H,15H2,1H3
InChIKeyVAXKWBJILCNJQG-UHFFFAOYSA-N
MW376.41 g/mol
LogP5.55
Rot. Bonds5

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

3,5-bis(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrazole (PubChem CID 19587601) has the molecular formula C23H18F2N2O and a molecular weight of 376.41 g/mol. Its IUPAC name is 3,5-bis(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name3,5-bis(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrazole
PubChem CID19587601
Molecular FormulaC23H18F2N2O
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name3,5-bis(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrazole
SMILESCOc1cccc(Cn2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)c1
InChIInChI=1S/C23H18F2N2O/c1-28-21-4-2-3-16(13-21)15-27-23(18-7-11-20(25)12-8-18)14-22(26-27)17-5-9-19(24)10-6-17/h2-14H,15H2,1H3
InChIKeyVAXKWBJILCNJQG-UHFFFAOYSA-N
XLogP5.55
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-Methoxyphenyl)-1-indazolyl]acetic acid methyl ester
CID 49835877
[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
CID 2496576
Methyl 2-[3-(2-fluoro-5-phenylmethoxyphenyl)indazol-1-yl]acetate
CID 73506474
Methyl 2-[3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]indazol-1-yl]acetate
CID 73507350
3-fluoro-4-[(2S)-1-[3-(2-methylpyrazol-3-yl)phenoxy]propan-2-yl]oxybenzonitrile
CID 138471321
Methyl 2-[3-(2-fluoro-3-phenylmethoxyphenyl)indazol-1-yl]acetate
CID 73506263
3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 9905772
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
4-[(E)-2-[1-benzyl-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 136505182
5-(4-Methoxyphenyl)-1,3-diphenyl-1H-pyrazole
CID 14532339
3-fluoro-4-((1-(3-(1-methyl-1H-pyrazol-5-yl)phenoxy)propan-2-yl)oxy)benzonitrile
CID 138471284
(R)-3-fluoro-4-((1-(3-(1-methyl-1H-pyrazol-5-yl)phenoxy)propan-2-yl)oxy)benzonitrile
CID 138471404

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrazole?
The IUPAC name of 3,5-bis(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrazole (CID 19587601) is 3,5-bis(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 3,5-bis(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrazole?
The canonical SMILES for 3,5-bis(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrazole is COc1cccc(Cn2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)c1.
What is the InChIKey of 3,5-bis(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrazole?
The InChIKey is VAXKWBJILCNJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O/c1-28-21-4-2-3-16(13-21)15-27-23(18-7-11-20(25)12-8-18)14-22(26-27)17-5-9-19(24)10-6-17/h2-14H,15H2,1H3.
What are the key properties of 3,5-bis(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrazole?
3,5-bis(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrazole has a molecular weight of 376.41 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 19587601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).