(1R)-1-(3-fluorophenyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethanol

C15H18FN3O — CID 95751068

IUPAC(1R)-1-(3-fluorophenyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethanol
SMILESCc1cnn(C2CN(C[C@H](O)c3cccc(F)c3)C2)c1
InChIInChI=1S/C15H18FN3O/c1-11-6-17-19(7-11)14-8-18(9-14)10-15(20)12-3-2-4-13(16)5-12/h2-7,14-15,20H,8-10H2,1H3/t15-/m0/s1
InChIKeyPZXKDJQFRNVZIJ-HNNXBMFYSA-N
MW275.33 g/mol
LogP1.92
Rot. Bonds4

About (1R)-1-(3-fluorophenyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethanol

(1R)-1-(3-fluorophenyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethanol (PubChem CID 95751068) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is (1R)-1-(3-fluorophenyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(3-fluorophenyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethanol
PubChem CID95751068
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name(1R)-1-(3-fluorophenyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethanol
SMILESCc1cnn(C2CN(C[C@H](O)c3cccc(F)c3)C2)c1
InChIInChI=1S/C15H18FN3O/c1-11-6-17-19(7-11)14-8-18(9-14)10-15(20)12-3-2-4-13(16)5-12/h2-7,14-15,20H,8-10H2,1H3/t15-/m0/s1
InChIKeyPZXKDJQFRNVZIJ-HNNXBMFYSA-N
XLogP1.92
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluorophenyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethanol?
The IUPAC name of (1R)-1-(3-fluorophenyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethanol (CID 95751068) is (1R)-1-(3-fluorophenyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(3-fluorophenyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(3-fluorophenyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethanol is Cc1cnn(C2CN(C[C@H](O)c3cccc(F)c3)C2)c1.
What is the InChIKey of (1R)-1-(3-fluorophenyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethanol?
The InChIKey is PZXKDJQFRNVZIJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-11-6-17-19(7-11)14-8-18(9-14)10-15(20)12-3-2-4-13(16)5-12/h2-7,14-15,20H,8-10H2,1H3/t15-/m0/s1.
What are the key properties of (1R)-1-(3-fluorophenyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethanol?
(1R)-1-(3-fluorophenyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethanol has a molecular weight of 275.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluorophenyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethanol is sourced from PubChem (CID 95751068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).