4-(azetidin-3-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole

C14H14F3N3O — CID 117230309

IUPAC4-(azetidin-3-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1cccc(-n2cc(OCC3CNC3)cn2)c1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)11-2-1-3-12(4-11)20-8-13(7-19-20)21-9-10-5-18-6-10/h1-4,7-8,10,18H,5-6,9H2
InChIKeyBYGCFERPVSTXOK-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.49
Rot. Bonds4

About 4-(azetidin-3-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole

4-(azetidin-3-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole (PubChem CID 117230309) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name4-(azetidin-3-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole
PubChem CID117230309
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name4-(azetidin-3-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole
SMILESFC(F)(F)c1cccc(-n2cc(OCC3CNC3)cn2)c1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)11-2-1-3-12(4-11)20-8-13(7-19-20)21-9-10-5-18-6-10/h1-4,7-8,10,18H,5-6,9H2
InChIKeyBYGCFERPVSTXOK-UHFFFAOYSA-N
XLogP2.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 167784680
4-(azetidin-3-ylmethoxy)-1-(3-bromophenyl)pyrazole
CID 117230313
3-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxymethyl]-1,2-oxazole
CID 167969681
1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine
CID 117230336
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine
CID 117230337
4-(oxan-4-ylmethoxy)-1-phenylpyrazole
CID 117233853
N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119785591
5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 162542331
1-(2-hydroxyethyl)-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]urea
CID 111458949
tert-butyl 3-methyl-3-[[4-[2-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethyl]-2,3-dihydro-1,3-thiazol-2-yl]sulfanyl]butanoate
CID 162552498
1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine
CID 117230345
4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 1479198

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 4-(azetidin-3-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole (CID 117230309) is 4-(azetidin-3-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 4-(azetidin-3-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 4-(azetidin-3-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole is FC(F)(F)c1cccc(-n2cc(OCC3CNC3)cn2)c1.
What is the InChIKey of 4-(azetidin-3-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is BYGCFERPVSTXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)11-2-1-3-12(4-11)20-8-13(7-19-20)21-9-10-5-18-6-10/h1-4,7-8,10,18H,5-6,9H2.
What are the key properties of 4-(azetidin-3-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole?
4-(azetidin-3-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 297.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 117230309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).