4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde

C14H16N2O3 — CID 55040995

IUPAC4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde
SMILESCCn1cc(COc2ccc(C=O)cc2OC)cn1
InChIInChI=1S/C14H16N2O3/c1-3-16-8-12(7-15-16)10-19-13-5-4-11(9-17)6-14(13)18-2/h4-9H,3,10H2,1-2H3
InChIKeySVBJXZNIEFBBNF-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.30
Rot. Bonds6

About 4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde

4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde (PubChem CID 55040995) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde
PubChem CID55040995
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde
SMILESCCn1cc(COc2ccc(C=O)cc2OC)cn1
InChIInChI=1S/C14H16N2O3/c1-3-16-8-12(7-15-16)10-19-13-5-4-11(9-17)6-14(13)18-2/h4-9H,3,10H2,1-2H3
InChIKeySVBJXZNIEFBBNF-UHFFFAOYSA-N
XLogP2.30
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.30
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

3-[[1-(iodomethyl)pyrazol-4-yl]methoxy]-4-methoxybenzaldehyde
CID 166691759
3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]benzaldehyde
CID 55147721
4-[(1-ethylpyrazol-4-yl)methoxy]-3-nitrobenzaldehyde
CID 62126534
1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 62127437
N-[[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 62127738
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
(E)-1-(1-ethylpyrazol-4-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 19543385
4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 115969367
4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole
CID 62125862
3-ethoxy-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 78767323
2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxybenzoic acid
CID 62126311
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde (CID 55040995) is 4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde is CCn1cc(COc2ccc(C=O)cc2OC)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde?
The InChIKey is SVBJXZNIEFBBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-16-8-12(7-15-16)10-19-13-5-4-11(9-17)6-14(13)18-2/h4-9H,3,10H2,1-2H3.
What are the key properties of 4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde?
4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde has a molecular weight of 260.29 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 55040995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).