1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole

C12H13FN2O — CID 104794972

IUPAC1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole
SMILESCOc1cccc(Cn2nccc2C)c1F
InChIInChI=1S/C12H13FN2O/c1-9-6-7-14-15(9)8-10-4-3-5-11(16-2)12(10)13/h3-7H,8H2,1-2H3
InChIKeyDVAFPBBZUOBLDB-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.39
Rot. Bonds3

About 1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole

1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole (PubChem CID 104794972) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole.

Molecular Properties

Compound Name1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole
PubChem CID104794972
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole
SMILESCOc1cccc(Cn2nccc2C)c1F
InChIInChI=1S/C12H13FN2O/c1-9-6-7-14-15(9)8-10-4-3-5-11(16-2)12(10)13/h3-7H,8H2,1-2H3
InChIKeyDVAFPBBZUOBLDB-UHFFFAOYSA-N
XLogP2.39
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole 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-[(5-methylpyrazol-1-yl)methyl]benzoic acid
CID 107119619
N-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 104791911
2-(2-fluoro-3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 114556975
1-(2-ethylpyrazol-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 114556790
4-(1-chloroethyl)-1-[(2-fluoro-3-methoxyphenyl)methyl]-3,5-dimethylpyrazole
CID 104794815
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554076
1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazole
CID 53443819
1-[(4-fluorophenyl)methyl]-5-methylpyrazole
CID 63278751
(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]-5-methylpyrazole?
The IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole (CID 104794972) is 1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole.
What is the SMILES notation for 1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole?
The canonical SMILES for 1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole is COc1cccc(Cn2nccc2C)c1F.
What is the InChIKey of 1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole?
The InChIKey is DVAFPBBZUOBLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-9-6-7-14-15(9)8-10-4-3-5-11(16-2)12(10)13/h3-7H,8H2,1-2H3.
What are the key properties of 1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole?
1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrazole has a molecular weight of 220.25 g/mol, XLogP of 2.39, 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]-5-methylpyrazole is sourced from PubChem (CID 104794972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).