1-(oxan-2-yl)-4-[2-(trifluoromethoxymethyl)cyclopropyl]pyrazole

C13H17F3N2O2 — CID 163279732

IUPAC1-(oxan-2-yl)-4-[2-(trifluoromethoxymethyl)cyclopropyl]pyrazole
SMILESFC(F)(F)OCC1CC1c1cnn(C2CCCCO2)c1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)20-8-9-5-11(9)10-6-17-18(7-10)12-3-1-2-4-19-12/h6-7,9,11-12H,1-5,8H2
InChIKeyFJWATIYACMOTGJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.22
Rot. Bonds4

About 1-(oxan-2-yl)-4-[2-(trifluoromethoxymethyl)cyclopropyl]pyrazole

1-(oxan-2-yl)-4-[2-(trifluoromethoxymethyl)cyclopropyl]pyrazole (PubChem CID 163279732) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-(oxan-2-yl)-4-[2-(trifluoromethoxymethyl)cyclopropyl]pyrazole.

Molecular Properties

Compound Name1-(oxan-2-yl)-4-[2-(trifluoromethoxymethyl)cyclopropyl]pyrazole
PubChem CID163279732
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name1-(oxan-2-yl)-4-[2-(trifluoromethoxymethyl)cyclopropyl]pyrazole
SMILESFC(F)(F)OCC1CC1c1cnn(C2CCCCO2)c1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)20-8-9-5-11(9)10-6-17-18(7-10)12-3-1-2-4-19-12/h6-7,9,11-12H,1-5,8H2
InChIKeyFJWATIYACMOTGJ-UHFFFAOYSA-N
XLogP3.22
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-4-[2-(trifluoromethoxymethyl)cyclopropyl]pyrazole?
The IUPAC name of 1-(oxan-2-yl)-4-[2-(trifluoromethoxymethyl)cyclopropyl]pyrazole (CID 163279732) is 1-(oxan-2-yl)-4-[2-(trifluoromethoxymethyl)cyclopropyl]pyrazole.
What is the SMILES notation for 1-(oxan-2-yl)-4-[2-(trifluoromethoxymethyl)cyclopropyl]pyrazole?
The canonical SMILES for 1-(oxan-2-yl)-4-[2-(trifluoromethoxymethyl)cyclopropyl]pyrazole is FC(F)(F)OCC1CC1c1cnn(C2CCCCO2)c1.
What is the InChIKey of 1-(oxan-2-yl)-4-[2-(trifluoromethoxymethyl)cyclopropyl]pyrazole?
The InChIKey is FJWATIYACMOTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-13(15,16)20-8-9-5-11(9)10-6-17-18(7-10)12-3-1-2-4-19-12/h6-7,9,11-12H,1-5,8H2.
What are the key properties of 1-(oxan-2-yl)-4-[2-(trifluoromethoxymethyl)cyclopropyl]pyrazole?
1-(oxan-2-yl)-4-[2-(trifluoromethoxymethyl)cyclopropyl]pyrazole has a molecular weight of 290.29 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-4-[2-(trifluoromethoxymethyl)cyclopropyl]pyrazole is sourced from PubChem (CID 163279732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).