1-(3-methoxyphenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde

C15H18N2O3 — CID 114798287

IUPAC1-(3-methoxyphenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde
SMILESCOCC(C)c1nn(-c2cccc(OC)c2)cc1C=O
InChIInChI=1S/C15H18N2O3/c1-11(10-19-2)15-12(9-18)8-17(16-15)13-5-4-6-14(7-13)20-3/h4-9,11H,10H2,1-3H3
InChIKeyFMSUUDDUWHDGNY-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.44
Rot. Bonds6

About 1-(3-methoxyphenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde

1-(3-methoxyphenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde (PubChem CID 114798287) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde
PubChem CID114798287
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(3-methoxyphenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde
SMILESCOCC(C)c1nn(-c2cccc(OC)c2)cc1C=O
InChIInChI=1S/C15H18N2O3/c1-11(10-19-2)15-12(9-18)8-17(16-15)13-5-4-6-14(7-13)20-3/h4-9,11H,10H2,1-3H3
InChIKeyFMSUUDDUWHDGNY-UHFFFAOYSA-N
XLogP2.44
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.44
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

1-(3-fluorophenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde
CID 112679187
1-(3,5-dimethylphenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde
CID 115996139
1-(4-chlorophenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde
CID 112679150
3-bromo-1-(3-methoxyphenyl)pyrazole-4-carbaldehyde
CID 165473214
1-(3-methoxyphenyl)-4-methylpyrazole-3-carbaldehyde
CID 86662721
1-butan-2-yl-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde
CID 112679183
3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]pyrazole-4-carbaldehyde
CID 144897485
methyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate
CID 66777683
3-(3-methoxyphenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde
CID 43531826
3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 82295157
1-(3-methoxyphenyl)-4,5-dihydroimidazole-2-carbaldehyde
CID 174908697
3-[4-bromo-1-(3-methoxyphenyl)pyrazol-3-yl]propanoic acid
CID 116818732

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(3-methoxyphenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde (CID 114798287) is 1-(3-methoxyphenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde is COCC(C)c1nn(-c2cccc(OC)c2)cc1C=O.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is FMSUUDDUWHDGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11(10-19-2)15-12(9-18)8-17(16-15)13-5-4-6-14(7-13)20-3/h4-9,11H,10H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde?
1-(3-methoxyphenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde has a molecular weight of 274.32 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 114798287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).