5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde

C16H13FN2O3 — CID 169334136

IUPAC5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde
SMILESCn1cc(COc2ccc(F)cc2-c2ccc(C=O)o2)cn1
InChIInChI=1S/C16H13FN2O3/c1-19-8-11(7-18-19)10-21-15-4-2-12(17)6-14(15)16-5-3-13(9-20)22-16/h2-9H,10H2,1H3
InChIKeyPETBEBQEXSDDPA-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.21
Rot. Bonds5

About 5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde

5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde (PubChem CID 169334136) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde
PubChem CID169334136
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde
SMILESCn1cc(COc2ccc(F)cc2-c2ccc(C=O)o2)cn1
InChIInChI=1S/C16H13FN2O3/c1-19-8-11(7-18-19)10-21-15-4-2-12(17)6-14(15)16-5-3-13(9-20)22-16/h2-9H,10H2,1H3
InChIKeyPETBEBQEXSDDPA-UHFFFAOYSA-N
XLogP3.21
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole
CID 168526787
5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 19627126
5-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]furan-2-carbaldehyde
CID 169334696
4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole
CID 81496538
2-[(1-methylpyrazol-4-yl)methoxy]naphthalene-1-carbaldehyde
CID 43417346
2-[(1-methylpyrazol-4-yl)methoxy]-4-propoxybenzaldehyde
CID 43415503
5-[4-(1-methylpyrazol-4-yl)phenyl]furan-2-carbaldehyde
CID 169332573
potassium trifluoro-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 63675296
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
[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28782967
4-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-1-methylpyrazole
CID 62126934

Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde (CID 169334136) is 5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde is Cn1cc(COc2ccc(F)cc2-c2ccc(C=O)o2)cn1.
What is the InChIKey of 5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde?
The InChIKey is PETBEBQEXSDDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-19-8-11(7-18-19)10-21-15-4-2-12(17)6-14(15)16-5-3-13(9-20)22-16/h2-9H,10H2,1H3.
What are the key properties of 5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde?
5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde has a molecular weight of 300.29 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).