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

C18H17FN2 — CID 142646887

IUPAC4-(4-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole
SMILESCC(C)n1cc(-c2ccc(F)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C18H17FN2/c1-13(2)21-12-17(14-8-10-16(19)11-9-14)18(20-21)15-6-4-3-5-7-15/h3-13H,1-2H3
InChIKeyDPRNPNSNRFEYDK-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.94
Rot. Bonds3

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

4-(4-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole (PubChem CID 142646887) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole
PubChem CID142646887
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name4-(4-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole
SMILESCC(C)n1cc(-c2ccc(F)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C18H17FN2/c1-13(2)21-12-17(14-8-10-16(19)11-9-14)18(20-21)15-6-4-3-5-7-15/h3-13H,1-2H3
InChIKeyDPRNPNSNRFEYDK-UHFFFAOYSA-N
XLogP4.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole 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-(4-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole?
The IUPAC name of 4-(4-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole (CID 142646887) is 4-(4-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-(4-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole?
The canonical SMILES for 4-(4-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole is CC(C)n1cc(-c2ccc(F)cc2)c(-c2ccccc2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole?
The InChIKey is DPRNPNSNRFEYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-13(2)21-12-17(14-8-10-16(19)11-9-14)18(20-21)15-6-4-3-5-7-15/h3-13H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole?
4-(4-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole has a molecular weight of 280.35 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 142646887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).