1,3-diethyl-5-[[3-(4-fluorophenyl)azetidin-3-yl]methyl]pyrazole

C17H22FN3 — CID 79460063

IUPAC1,3-diethyl-5-[[3-(4-fluorophenyl)azetidin-3-yl]methyl]pyrazole
SMILESCCc1cc(CC2(c3ccc(F)cc3)CNC2)n(CC)n1
InChIInChI=1S/C17H22FN3/c1-3-15-9-16(21(4-2)20-15)10-17(11-19-12-17)13-5-7-14(18)8-6-13/h5-9,19H,3-4,10-12H2,1-2H3
InChIKeyKTOYHVITQNWMJS-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.69
Rot. Bonds5

About 1,3-diethyl-5-[[3-(4-fluorophenyl)azetidin-3-yl]methyl]pyrazole

1,3-diethyl-5-[[3-(4-fluorophenyl)azetidin-3-yl]methyl]pyrazole (PubChem CID 79460063) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 1,3-diethyl-5-[[3-(4-fluorophenyl)azetidin-3-yl]methyl]pyrazole.

Molecular Properties

Compound Name1,3-diethyl-5-[[3-(4-fluorophenyl)azetidin-3-yl]methyl]pyrazole
PubChem CID79460063
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name1,3-diethyl-5-[[3-(4-fluorophenyl)azetidin-3-yl]methyl]pyrazole
SMILESCCc1cc(CC2(c3ccc(F)cc3)CNC2)n(CC)n1
InChIInChI=1S/C17H22FN3/c1-3-15-9-16(21(4-2)20-15)10-17(11-19-12-17)13-5-7-14(18)8-6-13/h5-9,19H,3-4,10-12H2,1-2H3
InChIKeyKTOYHVITQNWMJS-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3-diethyl-5-[[3-(4-fluorophenyl)azetidin-3-yl]methyl]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 1,3-diethyl-5-[[3-(4-fluorophenyl)azetidin-3-yl]methyl]pyrazole?
The IUPAC name of 1,3-diethyl-5-[[3-(4-fluorophenyl)azetidin-3-yl]methyl]pyrazole (CID 79460063) is 1,3-diethyl-5-[[3-(4-fluorophenyl)azetidin-3-yl]methyl]pyrazole.
What is the SMILES notation for 1,3-diethyl-5-[[3-(4-fluorophenyl)azetidin-3-yl]methyl]pyrazole?
The canonical SMILES for 1,3-diethyl-5-[[3-(4-fluorophenyl)azetidin-3-yl]methyl]pyrazole is CCc1cc(CC2(c3ccc(F)cc3)CNC2)n(CC)n1.
What is the InChIKey of 1,3-diethyl-5-[[3-(4-fluorophenyl)azetidin-3-yl]methyl]pyrazole?
The InChIKey is KTOYHVITQNWMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-3-15-9-16(21(4-2)20-15)10-17(11-19-12-17)13-5-7-14(18)8-6-13/h5-9,19H,3-4,10-12H2,1-2H3.
What are the key properties of 1,3-diethyl-5-[[3-(4-fluorophenyl)azetidin-3-yl]methyl]pyrazole?
1,3-diethyl-5-[[3-(4-fluorophenyl)azetidin-3-yl]methyl]pyrazole has a molecular weight of 287.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-[[3-(4-fluorophenyl)azetidin-3-yl]methyl]pyrazole is sourced from PubChem (CID 79460063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).