1-(azetidin-3-yl)-5-(trifluoromethyl)pyrazole

C7H8F3N3 — CID 59650642

IUPAC1-(azetidin-3-yl)-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccnn1C1CNC1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)6-1-2-12-13(6)5-3-11-4-5/h1-2,5,11H,3-4H2
InChIKeyGHUBYTPFUDZHPO-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.05
Rot. Bonds1

About 1-(azetidin-3-yl)-5-(trifluoromethyl)pyrazole

1-(azetidin-3-yl)-5-(trifluoromethyl)pyrazole (PubChem CID 59650642) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(azetidin-3-yl)-5-(trifluoromethyl)pyrazole
PubChem CID59650642
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name1-(azetidin-3-yl)-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccnn1C1CNC1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)6-1-2-12-13(6)5-3-11-4-5/h1-2,5,11H,3-4H2
InChIKeyGHUBYTPFUDZHPO-UHFFFAOYSA-N
XLogP1.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-5-(trifluoromethyl)pyrazole
CID 161495337
1-(azetidin-3-yl)-5-methylpyrazole
CID 84731114
1-(azetidin-3-yl)-5-propan-2-ylpyrazole
CID 84764985
2-(azetidin-3-yl)pyrazole-3-carbonitrile
CID 84731232
1-[2-(azetidin-3-yl)pyrazol-3-yl]cyclopropan-1-amine
CID 105437694
3-[2-(azetidin-3-yl)pyrazol-3-yl]propan-1-amine
CID 105439047
5-tert-butyl-1-(oxetan-3-yl)pyrazole
CID 177281776
(3R)-3-[5-(trifluoromethyl)pyrazol-1-yl]-N-(3,4,5-trifluorophenyl)piperidine-1-carboxamide
CID 97260801
N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide
CID 165484845
5-pyrrolidin-1-ylsulfonyl-2-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyridine
CID 75448694
1-[2-(azetidin-3-yl)ethyl]-5-(2,2,2-trifluoroethyl)pyrazole
CID 84795894
2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
CID 165474821

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(azetidin-3-yl)-5-(trifluoromethyl)pyrazole (CID 59650642) is 1-(azetidin-3-yl)-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(azetidin-3-yl)-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(azetidin-3-yl)-5-(trifluoromethyl)pyrazole is FC(F)(F)c1ccnn1C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-5-(trifluoromethyl)pyrazole?
The InChIKey is GHUBYTPFUDZHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c8-7(9,10)6-1-2-12-13(6)5-3-11-4-5/h1-2,5,11H,3-4H2.
What are the key properties of 1-(azetidin-3-yl)-5-(trifluoromethyl)pyrazole?
1-(azetidin-3-yl)-5-(trifluoromethyl)pyrazole has a molecular weight of 191.16 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 59650642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).