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

C11H11FN2O — CID 70818906

IUPAC1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazole
SMILESCOc1ccc(-n2cc(C)cn2)cc1F
InChIInChI=1S/C11H11FN2O/c1-8-6-13-14(7-8)9-3-4-11(15-2)10(12)5-9/h3-7H,1-2H3
InChIKeyYVEGDKVSDLVJBP-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.33
Rot. Bonds2

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

1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazole (PubChem CID 70818906) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazole
PubChem CID70818906
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazole
SMILESCOc1ccc(-n2cc(C)cn2)cc1F
InChIInChI=1S/C11H11FN2O/c1-8-6-13-14(7-8)9-3-4-11(15-2)10(12)5-9/h3-7H,1-2H3
InChIKeyYVEGDKVSDLVJBP-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazole?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazole (CID 70818906) is 1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazole.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazole?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazole is COc1ccc(-n2cc(C)cn2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazole?
The InChIKey is YVEGDKVSDLVJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-8-6-13-14(7-8)9-3-4-11(15-2)10(12)5-9/h3-7H,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazole?
1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazole has a molecular weight of 206.22 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-4-methylpyrazole is sourced from PubChem (CID 70818906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).