1-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-3-amine

C9H12F3N3O — CID 166834016

IUPAC1-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-3-amine
SMILESNc1cc(C(F)(F)F)n(C2CCOCC2)n1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)7-5-8(13)14-15(7)6-1-3-16-4-2-6/h5-6H,1-4H2,(H2,13,14)
InChIKeyYFMPAEDMFWDSMH-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.84
Rot. Bonds1

About 1-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-3-amine

1-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-3-amine (PubChem CID 166834016) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-3-amine
PubChem CID166834016
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name1-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-3-amine
SMILESNc1cc(C(F)(F)F)n(C2CCOCC2)n1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)7-5-8(13)14-15(7)6-1-3-16-4-2-6/h5-6H,1-4H2,(H2,13,14)
InChIKeyYFMPAEDMFWDSMH-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-3-amine?
The IUPAC name of 1-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-3-amine (CID 166834016) is 1-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-3-amine?
The canonical SMILES for 1-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-3-amine is Nc1cc(C(F)(F)F)n(C2CCOCC2)n1.
What is the InChIKey of 1-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-3-amine?
The InChIKey is YFMPAEDMFWDSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)7-5-8(13)14-15(7)6-1-3-16-4-2-6/h5-6H,1-4H2,(H2,13,14).
What are the key properties of 1-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-3-amine?
1-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 235.21 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 166834016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).