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

C15H20ClF3N6O — CID 176916629

IUPAC(2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine;hydrochloride
SMILESC[C@H](N)COCc1cc2n(n1)CCN(c1ncc(C(F)(F)F)cn1)C2.Cl
InChIInChI=1S/C15H19F3N6O.ClH/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;1H/t10-;/m0./s1
InChIKeyAPPIXLUQANYZSO-PPHPATTJSA-N
MW392.81 g/mol
LogP2.00
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;hydrochloride

(2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine;hydrochloride (PubChem CID 176916629) has the molecular formula C15H20ClF3N6O and a molecular weight of 392.81 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;hydrochloride.

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;hydrochloride
PubChem CID176916629
Molecular FormulaC15H20ClF3N6O
Molecular Weight392.81 g/mol
Exact Mass392.13
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;hydrochloride
SMILESC[C@H](N)COCc1cc2n(n1)CCN(c1ncc(C(F)(F)F)cn1)C2.Cl
InChIInChI=1S/C15H19F3N6O.ClH/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;1H/t10-;/m0./s1
InChIKeyAPPIXLUQANYZSO-PPHPATTJSA-N
XLogP2.00
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.81
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;hydrochloride?
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;hydrochloride (CID 176916629) is (2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine;hydrochloride.
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;hydrochloride?
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;hydrochloride is C[C@H](N)COCc1cc2n(n1)CCN(c1ncc(C(F)(F)F)cn1)C2.Cl.
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;hydrochloride?
The InChIKey is APPIXLUQANYZSO-PPHPATTJSA-N. The full InChI is InChI=1S/C15H19F3N6O.ClH/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;1H/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;hydrochloride?
(2S)-1-[[5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]propan-2-amine;hydrochloride has a molecular weight of 392.81 g/mol, XLogP of 2.00, 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;hydrochloride is sourced from PubChem (CID 176916629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).