5-[2-[3-(4-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole

C15H18FN3 — CID 103019187

IUPAC5-[2-[3-(4-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
SMILESCn1nccc1CCC1(c2ccc(F)cc2)CNC1
InChIInChI=1S/C15H18FN3/c1-19-14(7-9-18-19)6-8-15(10-17-11-15)12-2-4-13(16)5-3-12/h2-5,7,9,17H,6,8,10-11H2,1H3
InChIKeyXLZUVILIHFGABC-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.03
Rot. Bonds4

About 5-[2-[3-(4-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole

5-[2-[3-(4-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole (PubChem CID 103019187) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-[2-[3-(4-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[2-[3-(4-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
PubChem CID103019187
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name5-[2-[3-(4-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
SMILESCn1nccc1CCC1(c2ccc(F)cc2)CNC1
InChIInChI=1S/C15H18FN3/c1-19-14(7-9-18-19)6-8-15(10-17-11-15)12-2-4-13(16)5-3-12/h2-5,7,9,17H,6,8,10-11H2,1H3
InChIKeyXLZUVILIHFGABC-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

5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole
CID 103018381
2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole
CID 114532872
1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111953750
5-[4-bromo-3-(bromomethyl)-3-(4-fluorophenyl)butyl]-1-methylpyrazole
CID 103019072
2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103006430
3-[3-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]thiolane 1,1-dioxide
CID 103019129
3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103006277
3-(4-fluorophenyl)-3-(furan-3-ylmethyl)azetidine
CID 83183543
1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid
CID 103005051
4-[2-[3-(3-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole
CID 103019200
5-[2-(2-cyclopropylpyrrolidin-2-yl)ethyl]-1-methylpyrazole
CID 103010977
3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103005702

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(4-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole?
The IUPAC name of 5-[2-[3-(4-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole (CID 103019187) is 5-[2-[3-(4-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole.
What is the SMILES notation for 5-[2-[3-(4-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole?
The canonical SMILES for 5-[2-[3-(4-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole is Cn1nccc1CCC1(c2ccc(F)cc2)CNC1.
What is the InChIKey of 5-[2-[3-(4-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole?
The InChIKey is XLZUVILIHFGABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-19-14(7-9-18-19)6-8-15(10-17-11-15)12-2-4-13(16)5-3-12/h2-5,7,9,17H,6,8,10-11H2,1H3.
What are the key properties of 5-[2-[3-(4-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole?
5-[2-[3-(4-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 5-[2-[3-(4-fluorophenyl)azetidin-3-yl]ethyl]-1-methylpyrazole is sourced from PubChem (CID 103019187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).