(2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine

C15H19F3N6O — CID 166132377

IUPAC(2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine
SMILESC[C@H](N)COCc1cc2n(n1)CCN(c1ncc(C(F)(F)F)cn1)C2
InChIInChI=1S/C15H19F3N6O/c1-10(19)8-25-9-12-4-13-7-23(2-3-24(13)22-12)14-20-5-11(6-21-14)15(16,17)18/h4-6,10H,2-3,7-9,19H2,1H3/t10-/m0/s1
InChIKeyDTFYYEWIEATYIO-JTQLQIEISA-N
MW356.35 g/mol
LogP1.58
Rot. Bonds5

About (2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine

(2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine (PubChem CID 166132377) has the molecular formula C15H19F3N6O and a molecular weight of 356.35 g/mol. Its IUPAC name is (2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine
PubChem CID166132377
Molecular FormulaC15H19F3N6O
Molecular Weight356.35 g/mol
Exact Mass356.16
IUPAC Name(2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine
SMILESC[C@H](N)COCc1cc2n(n1)CCN(c1ncc(C(F)(F)F)cn1)C2
InChIInChI=1S/C15H19F3N6O/c1-10(19)8-25-9-12-4-13-7-23(2-3-24(13)22-12)14-20-5-11(6-21-14)15(16,17)18/h4-6,10H,2-3,7-9,19H2,1H3/t10-/m0/s1
InChIKeyDTFYYEWIEATYIO-JTQLQIEISA-N
XLogP1.58
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine?
The IUPAC name of (2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine (CID 166132377) is (2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine.
What is the SMILES notation for (2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine?
The canonical SMILES for (2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine is C[C@H](N)COCc1cc2n(n1)CCN(c1ncc(C(F)(F)F)cn1)C2.
What is the InChIKey of (2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine?
The InChIKey is DTFYYEWIEATYIO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19F3N6O/c1-10(19)8-25-9-12-4-13-7-23(2-3-24(13)22-12)14-20-5-11(6-21-14)15(16,17)18/h4-6,10H,2-3,7-9,19H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine?
(2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine has a molecular weight of 356.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine is sourced from PubChem (CID 166132377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).