5-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde

C19H17FN2O2 — CID 90083127

IUPAC5-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde
SMILESCOc1ccc(Cn2ncc(C=O)c2Cc2ccccc2F)cc1
InChIInChI=1S/C19H17FN2O2/c1-24-17-8-6-14(7-9-17)12-22-19(16(13-23)11-21-22)10-15-4-2-3-5-18(15)20/h2-9,11,13H,10,12H2,1H3
InChIKeyHQEWZJBYJWPUOS-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.48
Rot. Bonds6

About 5-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde

5-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde (PubChem CID 90083127) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde
PubChem CID90083127
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name5-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde
SMILESCOc1ccc(Cn2ncc(C=O)c2Cc2ccccc2F)cc1
InChIInChI=1S/C19H17FN2O2/c1-24-17-8-6-14(7-9-17)12-22-19(16(13-23)11-21-22)10-15-4-2-3-5-18(15)20/h2-9,11,13H,10,12H2,1H3
InChIKeyHQEWZJBYJWPUOS-UHFFFAOYSA-N
XLogP3.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde (CID 90083127) is 5-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde is COc1ccc(Cn2ncc(C=O)c2Cc2ccccc2F)cc1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde?
The InChIKey is HQEWZJBYJWPUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-24-17-8-6-14(7-9-17)12-22-19(16(13-23)11-21-22)10-15-4-2-3-5-18(15)20/h2-9,11,13H,10,12H2,1H3.
What are the key properties of 5-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde?
5-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde has a molecular weight of 324.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 90083127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).