4-ethyl-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carbaldehyde

C16H14FN3O2 — CID 150908329

IUPAC4-ethyl-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carbaldehyde
SMILESCCc1c(C=O)nn(Cc2ccccc2F)c1-c1ccon1
InChIInChI=1S/C16H14FN3O2/c1-2-12-15(10-21)18-20(16(12)14-7-8-22-19-14)9-11-5-3-4-6-13(11)17/h3-8,10H,2,9H2,1H3
InChIKeyLBLNUQQETPENHB-UHFFFAOYSA-N
MW299.31 g/mol
LogP3.10
Rot. Bonds5

About 4-ethyl-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carbaldehyde

4-ethyl-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carbaldehyde (PubChem CID 150908329) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-ethyl-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carbaldehyde
PubChem CID150908329
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name4-ethyl-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carbaldehyde
SMILESCCc1c(C=O)nn(Cc2ccccc2F)c1-c1ccon1
InChIInChI=1S/C16H14FN3O2/c1-2-12-15(10-21)18-20(16(12)14-7-8-22-19-14)9-11-5-3-4-6-13(11)17/h3-8,10H,2,9H2,1H3
InChIKeyLBLNUQQETPENHB-UHFFFAOYSA-N
XLogP3.10
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.10
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-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]methanamine
CID 123260566
1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazole-4-carbaldehyde
CID 82203900
5-butyl-1-[(2-fluorophenyl)methyl]triazole-4-carbaldehyde
CID 82203891
5-cyclohexyl-1-[(2-fluorophenyl)methyl]triazole-4-carbaldehyde
CID 82203909
1-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)triazole-4-carbaldehyde
CID 82203906
(4S)-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-(2-hydroxypropan-2-yl)-3-methyl-4H-pyrimidin-4-ol
CID 126491226
1-[(2-fluorophenyl)methyl]-N-methylidene-5-(1,2-oxazol-3-yl)pyrazole-3-carboximidamide
CID 163980281
2,2,2-trifluoro-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]acetamide
CID 90446268
1-[(2-fluorophenyl)methyl]-5-(2-methoxyphenyl)triazole-4-carbaldehyde
CID 94943529
3-[1-[(2-fluorophenyl)methyl]-3-(5-fluoro-4-piperidin-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole;formic acid
CID 144886548
ethyl 2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 68643354
methyl 3-[[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]amino]-3-oxopropanoate
CID 118962822

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carbaldehyde?
The IUPAC name of 4-ethyl-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carbaldehyde (CID 150908329) is 4-ethyl-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carbaldehyde.
What is the SMILES notation for 4-ethyl-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carbaldehyde?
The canonical SMILES for 4-ethyl-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carbaldehyde is CCc1c(C=O)nn(Cc2ccccc2F)c1-c1ccon1.
What is the InChIKey of 4-ethyl-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carbaldehyde?
The InChIKey is LBLNUQQETPENHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-2-12-15(10-21)18-20(16(12)14-7-8-22-19-14)9-11-5-3-4-6-13(11)17/h3-8,10H,2,9H2,1H3.
What are the key properties of 4-ethyl-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carbaldehyde?
4-ethyl-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carbaldehyde has a molecular weight of 299.31 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazole-3-carbaldehyde is sourced from PubChem (CID 150908329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).