1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole

C12H10F4N2O — CID 116621365

IUPAC1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole
SMILESCOc1cccc(Cn2ccc(C(F)(F)F)n2)c1F
InChIInChI=1S/C12H10F4N2O/c1-19-9-4-2-3-8(11(9)13)7-18-6-5-10(17-18)12(14,15)16/h2-6H,7H2,1H3
InChIKeyZLDHWEZPTGACEW-UHFFFAOYSA-N
MW274.22 g/mol
LogP3.10
Rot. Bonds3

About 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole

1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole (PubChem CID 116621365) has the molecular formula C12H10F4N2O and a molecular weight of 274.22 g/mol. Its IUPAC name is 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole
PubChem CID116621365
Molecular FormulaC12H10F4N2O
Molecular Weight274.22 g/mol
Exact Mass274.07
IUPAC Name1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole
SMILESCOc1cccc(Cn2ccc(C(F)(F)F)n2)c1F
InChIInChI=1S/C12H10F4N2O/c1-19-9-4-2-3-8(11(9)13)7-18-6-5-10(17-18)12(14,15)16/h2-6H,7H2,1H3
InChIKeyZLDHWEZPTGACEW-UHFFFAOYSA-N
XLogP3.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid
CID 107119607
2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]ethanamine
CID 115464356
1-[(2-methyl-3-nitrophenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 115592846
N-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 104791911
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 104794788
4-(1-bromoethyl)-1-[(2-fluoro-3-methoxyphenyl)methyl]triazole
CID 113453856
1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole
CID 104794972
2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide
CID 115465587
4-(1-chloroethyl)-1-[(2-fluoro-3-methoxyphenyl)methyl]-3,5-dimethylpyrazole
CID 104794815
(3S,4R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 104794531
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-3-yl]methanol
CID 113453676

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole (CID 116621365) is 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole is COc1cccc(Cn2ccc(C(F)(F)F)n2)c1F.
What is the InChIKey of 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is ZLDHWEZPTGACEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O/c1-19-9-4-2-3-8(11(9)13)7-18-6-5-10(17-18)12(14,15)16/h2-6H,7H2,1H3.
What are the key properties of 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole?
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 274.22 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 116621365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).