N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(trifluoromethyl)pyridin-4-amine

C15H17F3N4O — CID 154757725

IUPACN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(trifluoromethyl)pyridin-4-amine
SMILESCc1c([C@H]2OCC[C@@H]2Nc2ccnc(C(F)(F)F)c2)cnn1C
InChIInChI=1S/C15H17F3N4O/c1-9-11(8-20-22(9)2)14-12(4-6-23-14)21-10-3-5-19-13(7-10)15(16,17)18/h3,5,7-8,12,14H,4,6H2,1-2H3,(H,19,21)/t12-,14+/m0/s1
InChIKeyFRURKUXFYFEHSS-GXTWGEPZSA-N
MW326.32 g/mol
LogP3.08
Rot. Bonds3

About N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(trifluoromethyl)pyridin-4-amine

N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 154757725) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(trifluoromethyl)pyridin-4-amine
PubChem CID154757725
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC NameN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(trifluoromethyl)pyridin-4-amine
SMILESCc1c([C@H]2OCC[C@@H]2Nc2ccnc(C(F)(F)F)c2)cnn1C
InChIInChI=1S/C15H17F3N4O/c1-9-11(8-20-22(9)2)14-12(4-6-23-14)21-10-3-5-19-13(7-10)15(16,17)18/h3,5,7-8,12,14H,4,6H2,1-2H3,(H,19,21)/t12-,14+/m0/s1
InChIKeyFRURKUXFYFEHSS-GXTWGEPZSA-N
XLogP3.08
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(trifluoromethyl)pyridin-4-amine (CID 154757725) is N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(trifluoromethyl)pyridin-4-amine is Cc1c([C@H]2OCC[C@@H]2Nc2ccnc(C(F)(F)F)c2)cnn1C.
What is the InChIKey of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is FRURKUXFYFEHSS-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-9-11(8-20-22(9)2)14-12(4-6-23-14)21-10-3-5-19-13(7-10)15(16,17)18/h3,5,7-8,12,14H,4,6H2,1-2H3,(H,19,21)/t12-,14+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(trifluoromethyl)pyridin-4-amine?
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 326.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 154757725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).