4-[(4-fluorophenyl)methoxy]-1-methylpyrazole

C11H11FN2O — CID 71911486

IUPAC4-[(4-fluorophenyl)methoxy]-1-methylpyrazole
SMILESCn1cc(OCc2ccc(F)cc2)cn1
InChIInChI=1S/C11H11FN2O/c1-14-7-11(6-13-14)15-8-9-2-4-10(12)5-3-9/h2-7H,8H2,1H3
InChIKeyLDXUGPUXUKEFGL-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.14
Rot. Bonds3

About 4-[(4-fluorophenyl)methoxy]-1-methylpyrazole

4-[(4-fluorophenyl)methoxy]-1-methylpyrazole (PubChem CID 71911486) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-methylpyrazole.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-methylpyrazole
PubChem CID71911486
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-methylpyrazole
SMILESCn1cc(OCc2ccc(F)cc2)cn1
InChIInChI=1S/C11H11FN2O/c1-14-7-11(6-13-14)15-8-9-2-4-10(12)5-3-9/h2-7H,8H2,1H3
InChIKeyLDXUGPUXUKEFGL-UHFFFAOYSA-N
XLogP2.14
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-methylpyrazole?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-methylpyrazole (CID 71911486) is 4-[(4-fluorophenyl)methoxy]-1-methylpyrazole.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-methylpyrazole?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-methylpyrazole is Cn1cc(OCc2ccc(F)cc2)cn1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-methylpyrazole?
The InChIKey is LDXUGPUXUKEFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-14-7-11(6-13-14)15-8-9-2-4-10(12)5-3-9/h2-7H,8H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-methylpyrazole?
4-[(4-fluorophenyl)methoxy]-1-methylpyrazole has a molecular weight of 206.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-methylpyrazole is sourced from PubChem (CID 71911486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).