8-ethyl-2-(trifluoromethyl)-4,6,7,8-tetrahydropyrazolo[5,1-c][1,4]oxazepine

C10H13F3N2O — CID 174765998

IUPAC8-ethyl-2-(trifluoromethyl)-4,6,7,8-tetrahydropyrazolo[5,1-c][1,4]oxazepine
SMILESCCC1CCOCc2cc(C(F)(F)F)nn21
InChIInChI=1S/C10H13F3N2O/c1-2-7-3-4-16-6-8-5-9(10(11,12)13)14-15(7)8/h5,7H,2-4,6H2,1H3
InChIKeyGLQXQAYWFHCWLY-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.77
Rot. Bonds1

About 8-ethyl-2-(trifluoromethyl)-4,6,7,8-tetrahydropyrazolo[5,1-c][1,4]oxazepine

8-ethyl-2-(trifluoromethyl)-4,6,7,8-tetrahydropyrazolo[5,1-c][1,4]oxazepine (PubChem CID 174765998) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 8-ethyl-2-(trifluoromethyl)-4,6,7,8-tetrahydropyrazolo[5,1-c][1,4]oxazepine.

Molecular Properties

Compound Name8-ethyl-2-(trifluoromethyl)-4,6,7,8-tetrahydropyrazolo[5,1-c][1,4]oxazepine
PubChem CID174765998
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name8-ethyl-2-(trifluoromethyl)-4,6,7,8-tetrahydropyrazolo[5,1-c][1,4]oxazepine
SMILESCCC1CCOCc2cc(C(F)(F)F)nn21
InChIInChI=1S/C10H13F3N2O/c1-2-7-3-4-16-6-8-5-9(10(11,12)13)14-15(7)8/h5,7H,2-4,6H2,1H3
InChIKeyGLQXQAYWFHCWLY-UHFFFAOYSA-N
XLogP2.77
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-5-methyl-3-(trifluoromethyl)pyrazole
CID 138655272
tributyl-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]stannane
CID 67467374
4-(3-ethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564205
1-(oxan-4-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxylic acid
CID 166528462
4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563976
[4-[1-(oxolan-3-yl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanesulfinic acid
CID 174389085
5-methyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 169072222
5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1,3-oxazole
CID 136570448
[4-(5-ethyl-2-methylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567020
4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564199
5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole
CID 58200577
3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid
CID 154848071

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(trifluoromethyl)-4,6,7,8-tetrahydropyrazolo[5,1-c][1,4]oxazepine?
The IUPAC name of 8-ethyl-2-(trifluoromethyl)-4,6,7,8-tetrahydropyrazolo[5,1-c][1,4]oxazepine (CID 174765998) is 8-ethyl-2-(trifluoromethyl)-4,6,7,8-tetrahydropyrazolo[5,1-c][1,4]oxazepine.
What is the SMILES notation for 8-ethyl-2-(trifluoromethyl)-4,6,7,8-tetrahydropyrazolo[5,1-c][1,4]oxazepine?
The canonical SMILES for 8-ethyl-2-(trifluoromethyl)-4,6,7,8-tetrahydropyrazolo[5,1-c][1,4]oxazepine is CCC1CCOCc2cc(C(F)(F)F)nn21.
What is the InChIKey of 8-ethyl-2-(trifluoromethyl)-4,6,7,8-tetrahydropyrazolo[5,1-c][1,4]oxazepine?
The InChIKey is GLQXQAYWFHCWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-2-7-3-4-16-6-8-5-9(10(11,12)13)14-15(7)8/h5,7H,2-4,6H2,1H3.
What are the key properties of 8-ethyl-2-(trifluoromethyl)-4,6,7,8-tetrahydropyrazolo[5,1-c][1,4]oxazepine?
8-ethyl-2-(trifluoromethyl)-4,6,7,8-tetrahydropyrazolo[5,1-c][1,4]oxazepine has a molecular weight of 234.22 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(trifluoromethyl)-4,6,7,8-tetrahydropyrazolo[5,1-c][1,4]oxazepine is sourced from PubChem (CID 174765998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).