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

C18H17FN2 — CID 102205805

IUPAC5-(3-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole
SMILESCC(C)n1nc(-c2ccccc2)cc1-c1cccc(F)c1
InChIInChI=1S/C18H17FN2/c1-13(2)21-18(15-9-6-10-16(19)11-15)12-17(20-21)14-7-4-3-5-8-14/h3-13H,1-2H3
InChIKeyVDKWPZNPIZYQCF-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.94
Rot. Bonds3

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

5-(3-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole (PubChem CID 102205805) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole
PubChem CID102205805
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name5-(3-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole
SMILESCC(C)n1nc(-c2ccccc2)cc1-c1cccc(F)c1
InChIInChI=1S/C18H17FN2/c1-13(2)21-18(15-9-6-10-16(19)11-15)12-17(20-21)14-7-4-3-5-8-14/h3-13H,1-2H3
InChIKeyVDKWPZNPIZYQCF-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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole?
The IUPAC name of 5-(3-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole (CID 102205805) is 5-(3-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 5-(3-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole?
The canonical SMILES for 5-(3-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole is CC(C)n1nc(-c2ccccc2)cc1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole?
The InChIKey is VDKWPZNPIZYQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-13(2)21-18(15-9-6-10-16(19)11-15)12-17(20-21)14-7-4-3-5-8-14/h3-13H,1-2H3.
What are the key properties of 5-(3-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole?
5-(3-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 5-(3-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 102205805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).