5-[2-[(2-ethylpyrazol-3-yl)methoxy]phenyl]furan-2-carbaldehyde

C17H16N2O3 — CID 169334731

IUPAC5-[2-[(2-ethylpyrazol-3-yl)methoxy]phenyl]furan-2-carbaldehyde
SMILESCCn1nccc1COc1ccccc1-c1ccc(C=O)o1
InChIInChI=1S/C17H16N2O3/c1-2-19-13(9-10-18-19)12-21-16-6-4-3-5-15(16)17-8-7-14(11-20)22-17/h3-11H,2,12H2,1H3
InChIKeyLMOVJAJVPKLKLG-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.55
Rot. Bonds6

About 5-[2-[(2-ethylpyrazol-3-yl)methoxy]phenyl]furan-2-carbaldehyde

5-[2-[(2-ethylpyrazol-3-yl)methoxy]phenyl]furan-2-carbaldehyde (PubChem CID 169334731) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[2-[(2-ethylpyrazol-3-yl)methoxy]phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-[(2-ethylpyrazol-3-yl)methoxy]phenyl]furan-2-carbaldehyde
PubChem CID169334731
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-[2-[(2-ethylpyrazol-3-yl)methoxy]phenyl]furan-2-carbaldehyde
SMILESCCn1nccc1COc1ccccc1-c1ccc(C=O)o1
InChIInChI=1S/C17H16N2O3/c1-2-19-13(9-10-18-19)12-21-16-6-4-3-5-15(16)17-8-7-14(11-20)22-17/h3-11H,2,12H2,1H3
InChIKeyLMOVJAJVPKLKLG-UHFFFAOYSA-N
XLogP3.55
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.55
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-pyrazol-1-ylethoxy)phenyl]furan-2-carbaldehyde
CID 169334246
5-[2-[(1-ethyl-3-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde
CID 169334730
5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde
CID 169332268
5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde
CID 169334136
5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 169332736
5-[2-(2-methoxyethyl)phenyl]furan-2-carbaldehyde
CID 102907443
5-(4-methoxy-3-pyridinyl)furan-2-carbaldehyde
CID 130565682
5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde
CID 169334993
4-[2-(5-formylfuran-2-yl)phenoxy]benzamide
CID 169335395
5-(4-methyl-3-pyridinyl)furan-2-carbaldehyde
CID 103840991
(E)-3-[5-[(2-bromophenoxy)methyl]furan-2-yl]-1-(2-ethylpyrazol-3-yl)prop-2-en-1-one
CID 19553161
5-(2-cyclobutylphenyl)furan-2-carbaldehyde
CID 106886627

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-ethylpyrazol-3-yl)methoxy]phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-[(2-ethylpyrazol-3-yl)methoxy]phenyl]furan-2-carbaldehyde (CID 169334731) is 5-[2-[(2-ethylpyrazol-3-yl)methoxy]phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-[(2-ethylpyrazol-3-yl)methoxy]phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-[(2-ethylpyrazol-3-yl)methoxy]phenyl]furan-2-carbaldehyde is CCn1nccc1COc1ccccc1-c1ccc(C=O)o1.
What is the InChIKey of 5-[2-[(2-ethylpyrazol-3-yl)methoxy]phenyl]furan-2-carbaldehyde?
The InChIKey is LMOVJAJVPKLKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-19-13(9-10-18-19)12-21-16-6-4-3-5-15(16)17-8-7-14(11-20)22-17/h3-11H,2,12H2,1H3.
What are the key properties of 5-[2-[(2-ethylpyrazol-3-yl)methoxy]phenyl]furan-2-carbaldehyde?
5-[2-[(2-ethylpyrazol-3-yl)methoxy]phenyl]furan-2-carbaldehyde has a molecular weight of 296.33 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-ethylpyrazol-3-yl)methoxy]phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).