4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde

C13H14N2O2 — CID 103002817

IUPAC4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde
SMILESCn1nccc1CCOc1ccc(C=O)cc1
InChIInChI=1S/C13H14N2O2/c1-15-12(6-8-14-15)7-9-17-13-4-2-11(10-16)3-5-13/h2-6,8,10H,7,9H2,1H3
InChIKeyNXQMUJBRCZWBGX-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.85
Rot. Bonds5

About 4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde

4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde (PubChem CID 103002817) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde.

Molecular Properties

Compound Name4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde
PubChem CID103002817
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde
SMILESCn1nccc1CCOc1ccc(C=O)cc1
InChIInChI=1S/C13H14N2O2/c1-15-12(6-8-14-15)7-9-17-13-4-2-11(10-16)3-5-13/h2-6,8,10H,7,9H2,1H3
InChIKeyNXQMUJBRCZWBGX-UHFFFAOYSA-N
XLogP1.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine
CID 102999817
N'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide
CID 103003007
4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol
CID 103012792
4-[2-(5-methyl-1,3-oxazol-2-yl)ethoxy]benzaldehyde
CID 139898299
[2-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boronic acid
CID 103003921
3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol
CID 107680067
4-[2-(4-fluorophenyl)ethoxy]benzaldehyde
CID 87614238
2-methyl-N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 102999863
3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile
CID 103002570
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[4-(4-formylphenoxy)butyl]benzaldehyde
CID 87112127
4-(2-methylpyrazol-3-yl)butanal
CID 103014880

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde?
The IUPAC name of 4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde (CID 103002817) is 4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde.
What is the SMILES notation for 4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde?
The canonical SMILES for 4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde is Cn1nccc1CCOc1ccc(C=O)cc1.
What is the InChIKey of 4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde?
The InChIKey is NXQMUJBRCZWBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-15-12(6-8-14-15)7-9-17-13-4-2-11(10-16)3-5-13/h2-6,8,10H,7,9H2,1H3.
What are the key properties of 4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde?
4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde has a molecular weight of 230.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde is sourced from PubChem (CID 103002817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).