4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazole

C11H11FN2O — CID 134375327

IUPAC4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazole
SMILESCOc1c(F)cccc1-c1cnn(C)c1
InChIInChI=1S/C11H11FN2O/c1-14-7-8(6-13-14)9-4-3-5-10(12)11(9)15-2/h3-7H,1-2H3
InChIKeyJYOROABDLBKJKT-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.23
Rot. Bonds2

About 4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazole

4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazole (PubChem CID 134375327) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazole
PubChem CID134375327
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazole
SMILESCOc1c(F)cccc1-c1cnn(C)c1
InChIInChI=1S/C11H11FN2O/c1-14-7-8(6-13-14)9-4-3-5-10(12)11(9)15-2/h3-7H,1-2H3
InChIKeyJYOROABDLBKJKT-UHFFFAOYSA-N
XLogP2.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazole?
The IUPAC name of 4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazole (CID 134375327) is 4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazole.
What is the SMILES notation for 4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazole?
The canonical SMILES for 4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazole is COc1c(F)cccc1-c1cnn(C)c1.
What is the InChIKey of 4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazole?
The InChIKey is JYOROABDLBKJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-14-7-8(6-13-14)9-4-3-5-10(12)11(9)15-2/h3-7H,1-2H3.
What are the key properties of 4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazole?
4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazole has a molecular weight of 206.22 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazole is sourced from PubChem (CID 134375327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).