1-[2-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-yl]-3-(trifluoromethyl)pyrazol-4-amine

C15H21F3N4O — CID 135342072

IUPAC1-[2-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-yl]-3-(trifluoromethyl)pyrazol-4-amine
SMILESNc1cn(C2CC3(C2)CN(C2CCOCC2)C3)nc1C(F)(F)F
InChIInChI=1S/C15H21F3N4O/c16-15(17,18)13-12(19)7-22(20-13)11-5-14(6-11)8-21(9-14)10-1-3-23-4-2-10/h7,10-11H,1-6,8-9,19H2
InChIKeyYAUBMAOLYXMBMA-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.30
Rot. Bonds2

About 1-[2-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-yl]-3-(trifluoromethyl)pyrazol-4-amine

1-[2-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-yl]-3-(trifluoromethyl)pyrazol-4-amine (PubChem CID 135342072) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-[2-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-yl]-3-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-yl]-3-(trifluoromethyl)pyrazol-4-amine
PubChem CID135342072
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name1-[2-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-yl]-3-(trifluoromethyl)pyrazol-4-amine
SMILESNc1cn(C2CC3(C2)CN(C2CCOCC2)C3)nc1C(F)(F)F
InChIInChI=1S/C15H21F3N4O/c16-15(17,18)13-12(19)7-22(20-13)11-5-14(6-11)8-21(9-14)10-1-3-23-4-2-10/h7,10-11H,1-6,8-9,19H2
InChIKeyYAUBMAOLYXMBMA-UHFFFAOYSA-N
XLogP2.30
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Oxan-4-yl)-5-(trifluoromethyl)pyrazol-4-amine
CID 134970188
1-(3-Fluorooxan-4-yl)-3-methylpyrazol-4-amine
CID 90010341
1-[3,3-Difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine
CID 118288860
1-[3-Fluoro-3-methyl-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine
CID 118288955
1-[6-[4-Amino-3-(trifluoromethyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-2-methylpropan-2-ol
CID 135341925
6-[4-Nitro-3-(trifluoromethyl)pyrazol-1-yl]-2-(oxan-4-yl)-2-azaspiro[3.3]heptane
CID 135342004
[1-[6-[4-Amino-3-(trifluoromethyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-2-methylpropan-2-yl] acetate
CID 135342095
1-[3-(Difluoromethoxymethyl)cyclobutyl]-3-methylpyrazol-4-amine
CID 135374465
1-(Oxan-4-yl)-3-(trifluoromethyl)pyrazol-4-amine
CID 155182806
1-[3,3-Difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine;methane
CID 158693579
1-[4,4-Difluoro-1-(oxetan-3-yl)piperidin-3-yl]-5-methylpyrazol-4-amine
CID 162615602
5-Methyl-1-(3-methyloxan-4-yl)pyrazol-4-amine
CID 118288818

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-yl]-3-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-[2-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-yl]-3-(trifluoromethyl)pyrazol-4-amine (CID 135342072) is 1-[2-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-yl]-3-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-[2-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-yl]-3-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-[2-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-yl]-3-(trifluoromethyl)pyrazol-4-amine is Nc1cn(C2CC3(C2)CN(C2CCOCC2)C3)nc1C(F)(F)F.
What is the InChIKey of 1-[2-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-yl]-3-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is YAUBMAOLYXMBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/c16-15(17,18)13-12(19)7-22(20-13)11-5-14(6-11)8-21(9-14)10-1-3-23-4-2-10/h7,10-11H,1-6,8-9,19H2.
What are the key properties of 1-[2-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-yl]-3-(trifluoromethyl)pyrazol-4-amine?
1-[2-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-yl]-3-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 330.35 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-yl]-3-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 135342072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).