2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol

C17H20F3N3O — CID 56781756

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCc1cc(C)n(C2CN(CC(O)c3ccc(C(F)(F)F)cc3)C2)n1
InChIInChI=1S/C17H20F3N3O/c1-11-7-12(2)23(21-11)15-8-22(9-15)10-16(24)13-3-5-14(6-4-13)17(18,19)20/h3-7,15-16,24H,8-10H2,1-2H3
InChIKeyMVKALPQPGFNZMN-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.11
Rot. Bonds4

About 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol

2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 56781756) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID56781756
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCc1cc(C)n(C2CN(CC(O)c3ccc(C(F)(F)F)cc3)C2)n1
InChIInChI=1S/C17H20F3N3O/c1-11-7-12(2)23(21-11)15-8-22(9-15)10-16(24)13-3-5-14(6-4-13)17(18,19)20/h3-7,15-16,24H,8-10H2,1-2H3
InChIKeyMVKALPQPGFNZMN-UHFFFAOYSA-N
XLogP3.11
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol (CID 56781756) is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol is Cc1cc(C)n(C2CN(CC(O)c3ccc(C(F)(F)F)cc3)C2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is MVKALPQPGFNZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-11-7-12(2)23(21-11)15-8-22(9-15)10-16(24)13-3-5-14(6-4-13)17(18,19)20/h3-7,15-16,24H,8-10H2,1-2H3.
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol?
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 339.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 56781756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).