1-[2-(azetidin-3-yl)ethyl]-5-(2,2,2-trifluoroethyl)pyrazole

C10H14F3N3 — CID 84795894

IUPAC1-[2-(azetidin-3-yl)ethyl]-5-(2,2,2-trifluoroethyl)pyrazole
SMILESFC(F)(F)Cc1ccnn1CCC1CNC1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)5-9-1-3-15-16(9)4-2-8-6-14-7-8/h1,3,8,14H,2,4-7H2
InChIKeyPGBUPNDYPKUQIO-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.60
Rot. Bonds4

About 1-[2-(azetidin-3-yl)ethyl]-5-(2,2,2-trifluoroethyl)pyrazole

1-[2-(azetidin-3-yl)ethyl]-5-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 84795894) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)ethyl]-5-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)ethyl]-5-(2,2,2-trifluoroethyl)pyrazole
PubChem CID84795894
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name1-[2-(azetidin-3-yl)ethyl]-5-(2,2,2-trifluoroethyl)pyrazole
SMILESFC(F)(F)Cc1ccnn1CCC1CNC1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)5-9-1-3-15-16(9)4-2-8-6-14-7-8/h1,3,8,14H,2,4-7H2
InChIKeyPGBUPNDYPKUQIO-UHFFFAOYSA-N
XLogP1.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-5-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-5-(2,2,2-trifluoroethyl)pyrazole (CID 84795894) is 1-[2-(azetidin-3-yl)ethyl]-5-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 1-[2-(azetidin-3-yl)ethyl]-5-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 1-[2-(azetidin-3-yl)ethyl]-5-(2,2,2-trifluoroethyl)pyrazole is FC(F)(F)Cc1ccnn1CCC1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-yl)ethyl]-5-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is PGBUPNDYPKUQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c11-10(12,13)5-9-1-3-15-16(9)4-2-8-6-14-7-8/h1,3,8,14H,2,4-7H2.
What are the key properties of 1-[2-(azetidin-3-yl)ethyl]-5-(2,2,2-trifluoroethyl)pyrazole?
1-[2-(azetidin-3-yl)ethyl]-5-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 233.24 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)ethyl]-5-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 84795894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).