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

C15H18ClN3 — CID 103019208

IUPAC4-[2-[3-(3-chlorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
SMILESCn1cc(CCC2(c3cccc(Cl)c3)CNC2)cn1
InChIInChI=1S/C15H18ClN3/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
InChIKeyOOYLIMVUFROTIQ-UHFFFAOYSA-N
MW275.78 g/mol
LogP2.55
Rot. Bonds4

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

4-[2-[3-(3-chlorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole (PubChem CID 103019208) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-[2-[3-(3-chlorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[2-[3-(3-chlorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
PubChem CID103019208
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name4-[2-[3-(3-chlorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
SMILESCn1cc(CCC2(c3cccc(Cl)c3)CNC2)cn1
InChIInChI=1S/C15H18ClN3/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
InChIKeyOOYLIMVUFROTIQ-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(3-chlorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole?
The IUPAC name of 4-[2-[3-(3-chlorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole (CID 103019208) is 4-[2-[3-(3-chlorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole.
What is the SMILES notation for 4-[2-[3-(3-chlorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole?
The canonical SMILES for 4-[2-[3-(3-chlorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole is Cn1cc(CCC2(c3cccc(Cl)c3)CNC2)cn1.
What is the InChIKey of 4-[2-[3-(3-chlorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole?
The InChIKey is OOYLIMVUFROTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/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-chlorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole?
4-[2-[3-(3-chlorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole has a molecular weight of 275.78 g/mol, XLogP of 2.55, 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-chlorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole is sourced from PubChem (CID 103019208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).