1-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyrazole

C9H11F3N2O — CID 153355727

IUPAC1-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccnn1C[C@@H]1CCCO1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8-3-4-13-14(8)6-7-2-1-5-15-7/h3-4,7H,1-2,5-6H2/t7-/m0/s1
InChIKeyKZMBYLPOSBAWAX-ZETCQYMHSA-N
MW220.19 g/mol
LogP2.08
Rot. Bonds2

About 1-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyrazole

1-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyrazole (PubChem CID 153355727) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyrazole
PubChem CID153355727
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccnn1C[C@@H]1CCCO1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8-3-4-13-14(8)6-7-2-1-5-15-7/h3-4,7H,1-2,5-6H2/t7-/m0/s1
InChIKeyKZMBYLPOSBAWAX-ZETCQYMHSA-N
XLogP2.08
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 2809229
3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole
CID 124731640
1-(Oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 18461116
1-[3-(Trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 61631899
1-(Oxan-2-yl)-3-(trifluoromethyl)-1H-pyraZole
CID 67468793
1-(2-Propan-2-yloxyethyl)-3-(trifluoromethyl)pyrazole
CID 104097142
1-(2-Methoxyethyl)-3-(trifluoromethyl)pyrazole
CID 115596520
1-[2-[(2-Methylpropan-2-yl)oxy]ethyl]-3-(trifluoromethyl)pyrazole
CID 115598524
1-(Oxan-4-yl)-3-(trifluoromethyl)pyrazole
CID 116023728
1-(Tetrahydro-2H-pyran-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 130296981
1-[2-(Oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole
CID 138654903
1-(2-Methoxyethyl)-5-(trifluoromethyl)pyrazole
CID 141344152

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyrazole (CID 153355727) is 1-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyrazole is FC(F)(F)c1ccnn1C[C@@H]1CCCO1.
What is the InChIKey of 1-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyrazole?
The InChIKey is KZMBYLPOSBAWAX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)8-3-4-13-14(8)6-7-2-1-5-15-7/h3-4,7H,1-2,5-6H2/t7-/m0/s1.
What are the key properties of 1-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyrazole?
1-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyrazole has a molecular weight of 220.19 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 153355727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).