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

C17H14F2N2O — CID 21106759

IUPAC5-(3-fluoro-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole
SMILESCOc1ccc(-c2ccnn2Cc2ccc(F)cc2)cc1F
InChIInChI=1S/C17H14F2N2O/c1-22-17-7-4-13(10-15(17)19)16-8-9-20-21(16)11-12-2-5-14(18)6-3-12/h2-10H,11H2,1H3
InChIKeyFYVRAKAHZLYADF-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.89
Rot. Bonds4

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

5-(3-fluoro-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole (PubChem CID 21106759) has the molecular formula C17H14F2N2O and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole
PubChem CID21106759
Molecular FormulaC17H14F2N2O
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole
SMILESCOc1ccc(-c2ccnn2Cc2ccc(F)cc2)cc1F
InChIInChI=1S/C17H14F2N2O/c1-22-17-7-4-13(10-15(17)19)16-8-9-20-21(16)11-12-2-5-14(18)6-3-12/h2-10H,11H2,1H3
InChIKeyFYVRAKAHZLYADF-UHFFFAOYSA-N
XLogP3.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
({1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl}methyl)methyl[(1-phenyl-1H-pyrazol-4-yl)methyl]amine
CID 26325235
3-fluoro-4-[(2S)-1-[3-(2-methylpyrazol-3-yl)phenoxy]propan-2-yl]oxybenzonitrile
CID 138471321
1-(4-fluorophenyl)-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812599
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-propylpiperidin-4-amine
CID 16190345
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6898261
1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 16191714
[4-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
CID 2512462
3-[4-(4-Fluoro-phenoxy)-phenyl]-pyrazole-1-carboxylic acid amide
CID 9861009

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole (CID 21106759) is 5-(3-fluoro-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole is COc1ccc(-c2ccnn2Cc2ccc(F)cc2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole?
The InChIKey is FYVRAKAHZLYADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O/c1-22-17-7-4-13(10-15(17)19)16-8-9-20-21(16)11-12-2-5-14(18)6-3-12/h2-10H,11H2,1H3.
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole?
5-(3-fluoro-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole has a molecular weight of 300.31 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]pyrazole is sourced from PubChem (CID 21106759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).