3-(4-fluorophenyl)-1-phenyl-5-propan-2-ylpyrazole-4-carbaldehyde

C19H17FN2O — CID 19106331

IUPAC3-(4-fluorophenyl)-1-phenyl-5-propan-2-ylpyrazole-4-carbaldehyde
SMILESCC(C)c1c(C=O)c(-c2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C19H17FN2O/c1-13(2)19-17(12-23)18(14-8-10-15(20)11-9-14)21-22(19)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyPKWJVOAMVAYXJK-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.61
Rot. Bonds4

About 3-(4-fluorophenyl)-1-phenyl-5-propan-2-ylpyrazole-4-carbaldehyde

3-(4-fluorophenyl)-1-phenyl-5-propan-2-ylpyrazole-4-carbaldehyde (PubChem CID 19106331) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-phenyl-5-propan-2-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-phenyl-5-propan-2-ylpyrazole-4-carbaldehyde
PubChem CID19106331
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name3-(4-fluorophenyl)-1-phenyl-5-propan-2-ylpyrazole-4-carbaldehyde
SMILESCC(C)c1c(C=O)c(-c2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C19H17FN2O/c1-13(2)19-17(12-23)18(14-8-10-15(20)11-9-14)21-22(19)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyPKWJVOAMVAYXJK-UHFFFAOYSA-N
XLogP4.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.61
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-phenyl-5-propan-2-ylpyrazole-4-carbaldehyde?
The IUPAC name of 3-(4-fluorophenyl)-1-phenyl-5-propan-2-ylpyrazole-4-carbaldehyde (CID 19106331) is 3-(4-fluorophenyl)-1-phenyl-5-propan-2-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(4-fluorophenyl)-1-phenyl-5-propan-2-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-(4-fluorophenyl)-1-phenyl-5-propan-2-ylpyrazole-4-carbaldehyde is CC(C)c1c(C=O)c(-c2ccc(F)cc2)nn1-c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-phenyl-5-propan-2-ylpyrazole-4-carbaldehyde?
The InChIKey is PKWJVOAMVAYXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-13(2)19-17(12-23)18(14-8-10-15(20)11-9-14)21-22(19)16-6-4-3-5-7-16/h3-13H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-1-phenyl-5-propan-2-ylpyrazole-4-carbaldehyde?
3-(4-fluorophenyl)-1-phenyl-5-propan-2-ylpyrazole-4-carbaldehyde has a molecular weight of 308.36 g/mol, XLogP of 4.61, 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-phenyl-5-propan-2-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 19106331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).