1-(oxan-2-yl)-4-propyl-3-(trifluoromethyl)pyrazole

C12H17F3N2O — CID 154933257

IUPAC1-(oxan-2-yl)-4-propyl-3-(trifluoromethyl)pyrazole
SMILESCCCc1cn(C2CCCCO2)nc1C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-2-5-9-8-17(10-6-3-4-7-18-10)16-11(9)12(13,14)15/h8,10H,2-7H2,1H3
InChIKeyOAVGIYZUJXUXAT-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.55
Rot. Bonds3

About 1-(oxan-2-yl)-4-propyl-3-(trifluoromethyl)pyrazole

1-(oxan-2-yl)-4-propyl-3-(trifluoromethyl)pyrazole (PubChem CID 154933257) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(oxan-2-yl)-4-propyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(oxan-2-yl)-4-propyl-3-(trifluoromethyl)pyrazole
PubChem CID154933257
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name1-(oxan-2-yl)-4-propyl-3-(trifluoromethyl)pyrazole
SMILESCCCc1cn(C2CCCCO2)nc1C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-2-5-9-8-17(10-6-3-4-7-18-10)16-11(9)12(13,14)15/h8,10H,2-7H2,1H3
InChIKeyOAVGIYZUJXUXAT-UHFFFAOYSA-N
XLogP3.55
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-4-propyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(oxan-2-yl)-4-propyl-3-(trifluoromethyl)pyrazole (CID 154933257) is 1-(oxan-2-yl)-4-propyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(oxan-2-yl)-4-propyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(oxan-2-yl)-4-propyl-3-(trifluoromethyl)pyrazole is CCCc1cn(C2CCCCO2)nc1C(F)(F)F.
What is the InChIKey of 1-(oxan-2-yl)-4-propyl-3-(trifluoromethyl)pyrazole?
The InChIKey is OAVGIYZUJXUXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-2-5-9-8-17(10-6-3-4-7-18-10)16-11(9)12(13,14)15/h8,10H,2-7H2,1H3.
What are the key properties of 1-(oxan-2-yl)-4-propyl-3-(trifluoromethyl)pyrazole?
1-(oxan-2-yl)-4-propyl-3-(trifluoromethyl)pyrazole has a molecular weight of 262.27 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-4-propyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 154933257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).