1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-4-carbaldehyde

C11H8ClFN2O — CID 79150340

IUPAC1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-4-carbaldehyde
SMILESCc1c(C=O)cnn1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H8ClFN2O/c1-7-8(6-16)5-14-15(7)9-2-3-10(12)11(13)4-9/h2-6H,1H3
InChIKeyHCFGNWQGSHJYBS-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.79
Rot. Bonds2

About 1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-4-carbaldehyde

1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-4-carbaldehyde (PubChem CID 79150340) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-4-carbaldehyde
PubChem CID79150340
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-4-carbaldehyde
SMILESCc1c(C=O)cnn1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H8ClFN2O/c1-7-8(6-16)5-14-15(7)9-2-3-10(12)11(13)4-9/h2-6H,1H3
InChIKeyHCFGNWQGSHJYBS-UHFFFAOYSA-N
XLogP2.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-4-carbaldehyde?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-4-carbaldehyde (CID 79150340) is 1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-4-carbaldehyde is Cc1c(C=O)cnn1-c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-4-carbaldehyde?
The InChIKey is HCFGNWQGSHJYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c1-7-8(6-16)5-14-15(7)9-2-3-10(12)11(13)4-9/h2-6H,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-4-carbaldehyde?
1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-4-carbaldehyde has a molecular weight of 238.65 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-5-methylpyrazole-4-carbaldehyde is sourced from PubChem (CID 79150340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).