3-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole

C15H13FN2O2 — CID 168528058

IUPAC3-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole
SMILESCn1ccc(COc2ccc(F)cc2-c2ccco2)n1
InChIInChI=1S/C15H13FN2O2/c1-18-7-6-12(17-18)10-20-15-5-4-11(16)9-13(15)14-3-2-8-19-14/h2-9H,10H2,1H3
InChIKeyQKIAMKQZCSVKNT-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.40
Rot. Bonds4

About 3-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole

3-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole (PubChem CID 168528058) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 3-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole.

Molecular Properties

Compound Name3-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole
PubChem CID168528058
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name3-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole
SMILESCn1ccc(COc2ccc(F)cc2-c2ccco2)n1
InChIInChI=1S/C15H13FN2O2/c1-18-7-6-12(17-18)10-20-15-5-4-11(16)9-13(15)14-3-2-8-19-14/h2-9H,10H2,1H3
InChIKeyQKIAMKQZCSVKNT-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

4-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole
CID 168526787
[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 82870154
2-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione
CID 168519285
3-[(2-azido-4-fluorophenoxy)methyl]-1-methylpyrazole
CID 169326343
3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82865967
3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82870377
[4-fluoro-3-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 114674723
2,3-difluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82870156
1-[5-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 82866339
[2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866452
2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 82867095
[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 82870264

Frequently Asked Questions

What is the IUPAC name of 3-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole?
The IUPAC name of 3-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole (CID 168528058) is 3-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole.
What is the SMILES notation for 3-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole?
The canonical SMILES for 3-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole is Cn1ccc(COc2ccc(F)cc2-c2ccco2)n1.
What is the InChIKey of 3-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole?
The InChIKey is QKIAMKQZCSVKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-18-7-6-12(17-18)10-20-15-5-4-11(16)9-13(15)14-3-2-8-19-14/h2-9H,10H2,1H3.
What are the key properties of 3-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole?
3-[[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 3-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole is sourced from PubChem (CID 168528058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).