1-[(5-methyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole

C10H13F3N2O — CID 103140270

IUPAC1-[(5-methyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole
SMILESCC1CCC(Cn2ccc(C(F)(F)F)n2)O1
InChIInChI=1S/C10H13F3N2O/c1-7-2-3-8(16-7)6-15-5-4-9(14-15)10(11,12)13/h4-5,7-8H,2-3,6H2,1H3
InChIKeyLQAPBXFNGMUOJX-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.47
Rot. Bonds2

About 1-[(5-methyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole

1-[(5-methyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole (PubChem CID 103140270) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[(5-methyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-[(5-methyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole
PubChem CID103140270
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-[(5-methyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole
SMILESCC1CCC(Cn2ccc(C(F)(F)F)n2)O1
InChIInChI=1S/C10H13F3N2O/c1-7-2-3-8(16-7)6-15-5-4-9(14-15)10(11,12)13/h4-5,7-8H,2-3,6H2,1H3
InChIKeyLQAPBXFNGMUOJX-UHFFFAOYSA-N
XLogP2.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.47
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-(3-Methoxypropyl)-3-(trifluoromethyl)pyrazole
CID 115695084
1-(Oxan-4-yl)-3-(trifluoromethyl)pyrazole
CID 116023728
1-[Methyl-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]propan-2-ol
CID 118149676
1-(Tetrahydro-2H-pyran-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 130296981

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-[(5-methyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole (CID 103140270) is 1-[(5-methyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-[(5-methyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-[(5-methyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole is CC1CCC(Cn2ccc(C(F)(F)F)n2)O1.
What is the InChIKey of 1-[(5-methyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is LQAPBXFNGMUOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-7-2-3-8(16-7)6-15-5-4-9(14-15)10(11,12)13/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 1-[(5-methyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole?
1-[(5-methyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 234.22 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyloxolan-2-yl)methyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 103140270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).