3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]pyrazole-4-carbaldehyde

C15H18N2O3 — CID 144897485

IUPAC3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]pyrazole-4-carbaldehyde
SMILESCOCCc1nn(Cc2cccc(OC)c2)cc1C=O
InChIInChI=1S/C15H18N2O3/c1-19-7-6-15-13(11-18)10-17(16-15)9-12-4-3-5-14(8-12)20-2/h3-5,8,10-11H,6-7,9H2,1-2H3
InChIKeyHTYSRWMERBEFMU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.94
Rot. Bonds7

About 3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]pyrazole-4-carbaldehyde

3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]pyrazole-4-carbaldehyde (PubChem CID 144897485) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]pyrazole-4-carbaldehyde
PubChem CID144897485
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]pyrazole-4-carbaldehyde
SMILESCOCCc1nn(Cc2cccc(OC)c2)cc1C=O
InChIInChI=1S/C15H18N2O3/c1-19-7-6-15-13(11-18)10-17(16-15)9-12-4-3-5-14(8-12)20-2/h3-5,8,10-11H,6-7,9H2,1-2H3
InChIKeyHTYSRWMERBEFMU-UHFFFAOYSA-N
XLogP1.94
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.94
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-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide
CID 90656816
1,3-dibenzylpyrazole-4-carbaldehyde
CID 139675019
3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole
CID 174759475
3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde
CID 138111408
2-[(3-methoxyphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
CID 175094373
1-benzyl-3-(chloromethyl)pyrazole-4-carbaldehyde
CID 139675183
1-(3-methoxyphenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde
CID 114798287
N-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 66193895
1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride
CID 44630925
2-methoxy-N-[[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720570
4-(2-chloroethyl)-1-[(3-methoxyphenyl)methyl]triazole
CID 62401413
1-[(3-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295044

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]pyrazole-4-carbaldehyde?
The IUPAC name of 3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]pyrazole-4-carbaldehyde (CID 144897485) is 3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]pyrazole-4-carbaldehyde?
The canonical SMILES for 3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]pyrazole-4-carbaldehyde is COCCc1nn(Cc2cccc(OC)c2)cc1C=O.
What is the InChIKey of 3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]pyrazole-4-carbaldehyde?
The InChIKey is HTYSRWMERBEFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-7-6-15-13(11-18)10-17(16-15)9-12-4-3-5-14(8-12)20-2/h3-5,8,10-11H,6-7,9H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]pyrazole-4-carbaldehyde?
3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]pyrazole-4-carbaldehyde has a molecular weight of 274.32 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 144897485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).