2-[methyl-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]amino]ethanol

C16H20F3N5O — CID 56881402

IUPAC2-[methyl-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]amino]ethanol
SMILESCN(CCO)Cc1cc2n(n1)CCN(c1ccc(C(F)(F)F)cn1)C2
InChIInChI=1S/C16H20F3N5O/c1-22(6-7-25)10-13-8-14-11-23(4-5-24(14)21-13)15-3-2-12(9-20-15)16(17,18)19/h2-3,8-9,25H,4-7,10-11H2,1H3
InChIKeyWPSKXKAAHNNUFY-UHFFFAOYSA-N
MW355.36 g/mol
LogP1.74
Rot. Bonds5

About 2-[methyl-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]amino]ethanol

2-[methyl-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]amino]ethanol (PubChem CID 56881402) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-[methyl-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]amino]ethanol
PubChem CID56881402
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name2-[methyl-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]amino]ethanol
SMILESCN(CCO)Cc1cc2n(n1)CCN(c1ccc(C(F)(F)F)cn1)C2
InChIInChI=1S/C16H20F3N5O/c1-22(6-7-25)10-13-8-14-11-23(4-5-24(14)21-13)15-3-2-12(9-20-15)16(17,18)19/h2-3,8-9,25H,4-7,10-11H2,1H3
InChIKeyWPSKXKAAHNNUFY-UHFFFAOYSA-N
XLogP1.74
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]amino]ethanol?
The IUPAC name of 2-[methyl-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]amino]ethanol (CID 56881402) is 2-[methyl-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]amino]ethanol is CN(CCO)Cc1cc2n(n1)CCN(c1ccc(C(F)(F)F)cn1)C2.
What is the InChIKey of 2-[methyl-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]amino]ethanol?
The InChIKey is WPSKXKAAHNNUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-22(6-7-25)10-13-8-14-11-23(4-5-24(14)21-13)15-3-2-12(9-20-15)16(17,18)19/h2-3,8-9,25H,4-7,10-11H2,1H3.
What are the key properties of 2-[methyl-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]amino]ethanol?
2-[methyl-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]amino]ethanol has a molecular weight of 355.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]amino]ethanol is sourced from PubChem (CID 56881402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).