5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole

C16H12F2N2O — CID 134329207

IUPAC5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole
SMILESCOc1cccc(F)c1-c1cc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C16H12F2N2O/c1-21-15-8-4-7-12(18)16(15)14-9-13(19-20-14)10-5-2-3-6-11(10)17/h2-9H,1H3,(H,19,20)
InChIKeyOPFYMFOSXHCHDL-UHFFFAOYSA-N
MW286.28 g/mol
LogP4.03
Rot. Bonds3

About 5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole

5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole (PubChem CID 134329207) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole
PubChem CID134329207
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole
SMILESCOc1cccc(F)c1-c1cc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C16H12F2N2O/c1-21-15-8-4-7-12(18)16(15)14-9-13(19-20-14)10-5-2-3-6-11(10)17/h2-9H,1H3,(H,19,20)
InChIKeyOPFYMFOSXHCHDL-UHFFFAOYSA-N
XLogP4.03
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
2-[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 136622086
6-(2-fluoro-6-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 113389395
2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene
CID 159382015
2-(2-fluoro-6-methoxyphenyl)pyridine
CID 66942163
5-(2-fluoro-6-methoxyphenyl)-2-methyl-1H-imidazole
CID 50983015
5-(2-bromo-6-fluorophenyl)-3-(2,4-difluorophenyl)-1H-pyrazole
CID 135133090
2-(2,6-dimethoxyphenyl)-6-fluoroaniline
CID 107602899
5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114698005
5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole
CID 65432102
3-(2-fluoro-6-methoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 115389344
3-amino-4-fluoro-2-[3-(2-methylphenyl)-1H-pyrazol-5-yl]phenol
CID 155106171

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole (CID 134329207) is 5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole is COc1cccc(F)c1-c1cc(-c2ccccc2F)n[nH]1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole?
The InChIKey is OPFYMFOSXHCHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c1-21-15-8-4-7-12(18)16(15)14-9-13(19-20-14)10-5-2-3-6-11(10)17/h2-9H,1H3,(H,19,20).
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole?
5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole has a molecular weight of 286.28 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole is sourced from PubChem (CID 134329207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).