3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde

C18H15FN2O — CID 24748021

IUPAC3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
SMILESCc1ccc(Cn2cc(C=O)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H15FN2O/c1-13-2-4-14(5-3-13)10-21-11-16(12-22)18(20-21)15-6-8-17(19)9-7-15/h2-9,11-12H,10H2,1H3
InChIKeyPTZGGRSTTIUPLB-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.86
Rot. Bonds4

About 3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde

3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde (PubChem CID 24748021) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
PubChem CID24748021
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
SMILESCc1ccc(Cn2cc(C=O)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H15FN2O/c1-13-2-4-14(5-3-13)10-21-11-16(12-22)18(20-21)15-6-8-17(19)9-7-15/h2-9,11-12H,10H2,1H3
InChIKeyPTZGGRSTTIUPLB-UHFFFAOYSA-N
XLogP3.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.86
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 3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde?
The IUPAC name of 3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde (CID 24748021) is 3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde?
The canonical SMILES for 3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde is Cc1ccc(Cn2cc(C=O)c(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde?
The InChIKey is PTZGGRSTTIUPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c1-13-2-4-14(5-3-13)10-21-11-16(12-22)18(20-21)15-6-8-17(19)9-7-15/h2-9,11-12H,10H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde?
3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde has a molecular weight of 294.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 24748021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).