1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine

C9H12F3N3O — CID 155247848

IUPAC1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1cc(C(F)(F)F)nn1C1CCCCO1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)6-5-7(13)15(14-6)8-3-1-2-4-16-8/h5,8H,1-4,13H2
InChIKeyDIQWRCCRNKGAOH-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.18
Rot. Bonds1

About 1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine

1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 155247848) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID155247848
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1cc(C(F)(F)F)nn1C1CCCCO1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)6-5-7(13)15(14-6)8-3-1-2-4-16-8/h5,8H,1-4,13H2
InChIKeyDIQWRCCRNKGAOH-UHFFFAOYSA-N
XLogP2.18
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine (CID 155247848) is 1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine is Nc1cc(C(F)(F)F)nn1C1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is DIQWRCCRNKGAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)6-5-7(13)15(14-6)8-3-1-2-4-16-8/h5,8H,1-4,13H2.
What are the key properties of 1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine?
1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 235.21 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 155247848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).