4-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole

C15H13FN2O2 — CID 168526787

IUPAC4-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole
SMILESCn1cc(COc2ccc(F)cc2-c2ccco2)cn1
InChIInChI=1S/C15H13FN2O2/c1-18-9-11(8-17-18)10-20-15-5-4-12(16)7-13(15)14-3-2-6-19-14/h2-9H,10H2,1H3
InChIKeyNGNZEKAYMDBVMZ-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.40
Rot. Bonds4

About 4-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole

4-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole (PubChem CID 168526787) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 4-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole
PubChem CID168526787
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name4-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole
SMILESCn1cc(COc2ccc(F)cc2-c2ccco2)cn1
InChIInChI=1S/C15H13FN2O2/c1-18-9-11(8-17-18)10-20-15-5-4-12(16)7-13(15)14-3-2-6-19-14/h2-9H,10H2,1H3
InChIKeyNGNZEKAYMDBVMZ-UHFFFAOYSA-N
XLogP3.40
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde
CID 169334136
3-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole
CID 168528058
5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 19627126
4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole
CID 81496538
potassium trifluoro-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 63675296
1-[4-fluoro-2-(furan-2-yl)phenyl]-4-methylpyrazole
CID 168527335
N-[[3-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 107688660
3-chloro-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 19626971
1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 60890187
[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28782967
4-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-1-methylpyrazole
CID 62126934
4-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-methylpyrazole
CID 62125859

Frequently Asked Questions

What is the IUPAC name of 4-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole?
The IUPAC name of 4-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole (CID 168526787) is 4-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole.
What is the SMILES notation for 4-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole?
The canonical SMILES for 4-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole is Cn1cc(COc2ccc(F)cc2-c2ccco2)cn1.
What is the InChIKey of 4-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole?
The InChIKey is NGNZEKAYMDBVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-18-9-11(8-17-18)10-20-15-5-4-12(16)7-13(15)14-3-2-6-19-14/h2-9H,10H2,1H3.
What are the key properties of 4-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole?
4-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole has a molecular weight of 272.28 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole is sourced from PubChem (CID 168526787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).