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

C15H19F3N6O — CID 167201681

IUPAC2-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]ethanamine
SMILESCC1CN(c2ncc(C(F)(F)F)cn2)Cc2cc(COCCN)nn21
InChIInChI=1S/C15H19F3N6O/c1-10-7-23(14-20-5-11(6-21-14)15(16,17)18)8-13-4-12(22-24(10)13)9-25-3-2-19/h4-6,10H,2-3,7-9,19H2,1H3
InChIKeyTXXQPKDIWAUSDX-UHFFFAOYSA-N
MW356.35 g/mol
LogP1.75
Rot. Bonds5

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

2-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]ethanamine (PubChem CID 167201681) has the molecular formula C15H19F3N6O and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]ethanamine.

Molecular Properties

Compound Name2-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]ethanamine
PubChem CID167201681
Molecular FormulaC15H19F3N6O
Molecular Weight356.35 g/mol
Exact Mass356.16
IUPAC Name2-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]ethanamine
SMILESCC1CN(c2ncc(C(F)(F)F)cn2)Cc2cc(COCCN)nn21
InChIInChI=1S/C15H19F3N6O/c1-10-7-23(14-20-5-11(6-21-14)15(16,17)18)8-13-4-12(22-24(10)13)9-25-3-2-19/h4-6,10H,2-3,7-9,19H2,1H3
InChIKeyTXXQPKDIWAUSDX-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]ethanamine 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 2-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]ethanamine?
The IUPAC name of 2-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]ethanamine (CID 167201681) is 2-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]ethanamine.
What is the SMILES notation for 2-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]ethanamine?
The canonical SMILES for 2-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]ethanamine is CC1CN(c2ncc(C(F)(F)F)cn2)Cc2cc(COCCN)nn21.
What is the InChIKey of 2-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]ethanamine?
The InChIKey is TXXQPKDIWAUSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O/c1-10-7-23(14-20-5-11(6-21-14)15(16,17)18)8-13-4-12(22-24(10)13)9-25-3-2-19/h4-6,10H,2-3,7-9,19H2,1H3.
What are the key properties of 2-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]ethanamine?
2-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]ethanamine has a molecular weight of 356.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-methyl-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methoxy]ethanamine is sourced from PubChem (CID 167201681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).