4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazole

C20H21FN2O — CID 174971763

IUPAC4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazole
SMILESCCc1cnn(CCOCc2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O/c1-2-17-14-22-23(20(17)18-8-10-19(21)11-9-18)12-13-24-15-16-6-4-3-5-7-16/h3-11,14H,2,12-13,15H2,1H3
InChIKeyCQLKSQCMQGDYAZ-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.47
Rot. Bonds7

About 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazole

4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazole (PubChem CID 174971763) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazole.

Molecular Properties

Compound Name4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazole
PubChem CID174971763
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazole
SMILESCCc1cnn(CCOCc2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O/c1-2-17-14-22-23(20(17)18-8-10-19(21)11-9-18)12-13-24-15-16-6-4-3-5-7-16/h3-11,14H,2,12-13,15H2,1H3
InChIKeyCQLKSQCMQGDYAZ-UHFFFAOYSA-N
XLogP4.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazole?
The IUPAC name of 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazole (CID 174971763) is 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazole.
What is the SMILES notation for 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazole?
The canonical SMILES for 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazole is CCc1cnn(CCOCc2ccccc2)c1-c1ccc(F)cc1.
What is the InChIKey of 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazole?
The InChIKey is CQLKSQCMQGDYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-2-17-14-22-23(20(17)18-8-10-19(21)11-9-18)12-13-24-15-16-6-4-3-5-7-16/h3-11,14H,2,12-13,15H2,1H3.
What are the key properties of 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazole?
4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazole has a molecular weight of 324.40 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazole is sourced from PubChem (CID 174971763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).