4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole

C15H18FN3 — CID 103019200

IUPAC4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
SMILESCn1cc(CCC2(c3cccc(F)c3)CNC2)cn1
InChIInChI=1S/C15H18FN3/c1-19-9-12(8-18-19)5-6-15(10-17-11-15)13-3-2-4-14(16)7-13/h2-4,7-9,17H,5-6,10-11H2,1H3
InChIKeyRUTDXMBIRSPIQP-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.03
Rot. Bonds4

About 4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole

4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole (PubChem CID 103019200) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
PubChem CID103019200
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
SMILESCn1cc(CCC2(c3cccc(F)c3)CNC2)cn1
InChIInChI=1S/C15H18FN3/c1-19-9-12(8-18-19)5-6-15(10-17-11-15)13-3-2-4-14(16)7-13/h2-4,7-9,17H,5-6,10-11H2,1H3
InChIKeyRUTDXMBIRSPIQP-UHFFFAOYSA-N
XLogP2.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[3-(3-chlorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
CID 103019208
4-[2-[3-(2-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
CID 103019212
1-ethyl-2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111638875
3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
CID 103006388
1-methyl-4-[(3-phenylazetidin-3-yl)methyl]pyrazole
CID 79451774
5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole
CID 107058629
3-(3-fluorophenyl)-3-(2-propoxyethyl)azetidine
CID 106459870
3-(3-fluorophenyl)-3-(methoxymethyl)azetidine
CID 103985393
3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine
CID 79461082
1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007220
5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propyl-1,2,4-triazole
CID 79459810
3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine
CID 79460489

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole?
The IUPAC name of 4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole (CID 103019200) is 4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole.
What is the SMILES notation for 4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole?
The canonical SMILES for 4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole is Cn1cc(CCC2(c3cccc(F)c3)CNC2)cn1.
What is the InChIKey of 4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole?
The InChIKey is RUTDXMBIRSPIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-19-9-12(8-18-19)5-6-15(10-17-11-15)13-3-2-4-14(16)7-13/h2-4,7-9,17H,5-6,10-11H2,1H3.
What are the key properties of 4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole?
4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole has a molecular weight of 259.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole is sourced from PubChem (CID 103019200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).