1-(oxan-3-yl)-3-(trifluoromethyl)pyrazole

C9H11F3N2O — CID 107137610

IUPAC1-(oxan-3-yl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(C2CCCOC2)n1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8-3-4-14(13-8)7-2-1-5-15-6-7/h3-4,7H,1-2,5-6H2
InChIKeyIOWDVAWARJJMGP-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.25
Rot. Bonds1

About 1-(oxan-3-yl)-3-(trifluoromethyl)pyrazole

1-(oxan-3-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 107137610) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-(oxan-3-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(oxan-3-yl)-3-(trifluoromethyl)pyrazole
PubChem CID107137610
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-(oxan-3-yl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(C2CCCOC2)n1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8-3-4-14(13-8)7-2-1-5-15-6-7/h3-4,7H,1-2,5-6H2
InChIKeyIOWDVAWARJJMGP-UHFFFAOYSA-N
XLogP2.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-(oxolan-3-yl)pyrazole
CID 130570273
4-[3-(trifluoromethyl)pyrazol-1-yl]azepane
CID 63903132
N-[[1-(oxan-3-yl)pyrazol-3-yl]methyl]cyclopropanamine
CID 107137702
3-(difluoromethyl)-1-(oxolan-3-yl)pyrazole
CID 130570271
3-(2,5-dimethylpyrrol-1-yl)-1-[(3S)-oxolan-3-yl]pyrazole
CID 157041913
[1-(oxolan-3-yl)pyrazol-3-yl]methanol
CID 168728333
1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 79637825
N-[2-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine
CID 99838934
8-benzyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-8-azabicyclo[3.2.1]octane
CID 71225950
1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile
CID 79639889
N-piperidin-4-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 128818696
4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
CID 133450762

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(oxan-3-yl)-3-(trifluoromethyl)pyrazole (CID 107137610) is 1-(oxan-3-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(oxan-3-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(oxan-3-yl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(C2CCCOC2)n1.
What is the InChIKey of 1-(oxan-3-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is IOWDVAWARJJMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)8-3-4-14(13-8)7-2-1-5-15-6-7/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-(oxan-3-yl)-3-(trifluoromethyl)pyrazole?
1-(oxan-3-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 220.19 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 107137610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).