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

C14H15FN2O2 — CID 112679187

IUPAC1-(3-fluorophenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde
SMILESCOCC(C)c1nn(-c2cccc(F)c2)cc1C=O
InChIInChI=1S/C14H15FN2O2/c1-10(9-19-2)14-11(8-18)7-17(16-14)13-5-3-4-12(15)6-13/h3-8,10H,9H2,1-2H3
InChIKeyFZNKTKQCLKFIFL-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.57
Rot. Bonds5

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

1-(3-fluorophenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde (PubChem CID 112679187) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde
PubChem CID112679187
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name1-(3-fluorophenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde
SMILESCOCC(C)c1nn(-c2cccc(F)c2)cc1C=O
InChIInChI=1S/C14H15FN2O2/c1-10(9-19-2)14-11(8-18)7-17(16-14)13-5-3-4-12(15)6-13/h3-8,10H,9H2,1-2H3
InChIKeyFZNKTKQCLKFIFL-UHFFFAOYSA-N
XLogP2.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.57
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

1-(3-methoxyphenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde
CID 114798287
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
1-(3-chlorophenyl)-3-pent-4-en-2-ylpyrazole-4-carbaldehyde
CID 63162667
1-(3-fluorophenyl)-3-(3-methoxythiophen-2-yl)pyrazole-4-carbaldehyde
CID 114798221
1-butan-2-yl-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde
CID 112679183
1-(4-fluoro-2-methylphenyl)-3-pent-4-en-2-ylpyrazole-4-carbaldehyde
CID 63859085
1-cyclohexyl-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde
CID 112679178
3-(5-chlorothiophen-3-yl)-1-(3-fluorophenyl)pyrazole-4-carbaldehyde
CID 106758479
3-bromo-1-(3-methoxyphenyl)pyrazole-4-carbaldehyde
CID 165473214
1-(3-fluorophenyl)pyrazole-3-carbaldehyde
CID 115017997
[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol
CID 84617796

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(3-fluorophenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde (CID 112679187) is 1-(3-fluorophenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(3-fluorophenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde is COCC(C)c1nn(-c2cccc(F)c2)cc1C=O.
What is the InChIKey of 1-(3-fluorophenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is FZNKTKQCLKFIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-10(9-19-2)14-11(8-18)7-17(16-14)13-5-3-4-12(15)6-13/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde?
1-(3-fluorophenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde has a molecular weight of 262.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(1-methoxypropan-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 112679187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).