5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde

C18H18N2O3 — CID 169334730

IUPAC5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde
SMILESCCn1cc(COc2ccccc2-c2ccc(C=O)o2)c(C)n1
InChIInChI=1S/C18H18N2O3/c1-3-20-10-14(13(2)19-20)12-22-17-7-5-4-6-16(17)18-9-8-15(11-21)23-18/h4-11H,3,12H2,1-2H3
InChIKeyZZUXGPAWRJAGMC-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.86
Rot. Bonds6

About 5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde

5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde (PubChem CID 169334730) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde
PubChem CID169334730
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde
SMILESCCn1cc(COc2ccccc2-c2ccc(C=O)o2)c(C)n1
InChIInChI=1S/C18H18N2O3/c1-3-20-10-14(13(2)19-20)12-22-17-7-5-4-6-16(17)18-9-8-15(11-21)23-18/h4-11H,3,12H2,1-2H3
InChIKeyZZUXGPAWRJAGMC-UHFFFAOYSA-N
XLogP3.86
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.86
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

5-[2-[(2-ethylpyrazol-3-yl)methoxy]phenyl]furan-2-carbaldehyde
CID 169334731
5-[2-(2-pyrazol-1-ylethoxy)phenyl]furan-2-carbaldehyde
CID 169334246
4-[(2-bromophenoxy)methyl]-1-ethyl-3-methylpyrazole
CID 169336896
5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde
CID 169332268
2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]-3-fluorophenyl]isoindole-1,3-dione
CID 168518119
5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde
CID 169334136
5-[2-(2-methoxyethyl)phenyl]furan-2-carbaldehyde
CID 102907443
5-[2-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]furan-2-carbaldehyde
CID 169334656
5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169376824
5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 169332736
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442967
5-(4-methylnaphthalen-1-yl)furan-2-carbaldehyde
CID 106888456

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde (CID 169334730) is 5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde is CCn1cc(COc2ccccc2-c2ccc(C=O)o2)c(C)n1.
What is the InChIKey of 5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde?
The InChIKey is ZZUXGPAWRJAGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-20-10-14(13(2)19-20)12-22-17-7-5-4-6-16(17)18-9-8-15(11-21)23-18/h4-11H,3,12H2,1-2H3.
What are the key properties of 5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde?
5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde has a molecular weight of 310.35 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).