2-[2-[[5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol

C23H21F3N4O2 — CID 177044949

IUPAC2-[2-[[5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol
SMILESOCCOCCNc1cc(-c2ccccc2)nc2c(-c3ccc(C(F)(F)F)cc3)cnn12
InChIInChI=1S/C23H21F3N4O2/c24-23(25,26)18-8-6-16(7-9-18)19-15-28-30-21(27-10-12-32-13-11-31)14-20(29-22(19)30)17-4-2-1-3-5-17/h1-9,14-15,27,31H,10-13H2
InChIKeyWGQRNUIHYFZWDY-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.50
Rot. Bonds8

About 2-[2-[[5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol

2-[2-[[5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol (PubChem CID 177044949) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is 2-[2-[[5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol
PubChem CID177044949
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC Name2-[2-[[5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol
SMILESOCCOCCNc1cc(-c2ccccc2)nc2c(-c3ccc(C(F)(F)F)cc3)cnn12
InChIInChI=1S/C23H21F3N4O2/c24-23(25,26)18-8-6-16(7-9-18)19-15-28-30-21(27-10-12-32-13-11-31)14-20(29-22(19)30)17-4-2-1-3-5-17/h1-9,14-15,27,31H,10-13H2
InChIKeyWGQRNUIHYFZWDY-UHFFFAOYSA-N
XLogP4.50
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[[5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol with MolForge

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Related Compounds

methyl 4-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]benzoate
CID 177044933
N-[2-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide
CID 177044986
2-[2-[(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy]ethanol
CID 4870814
N-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 4971357
3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 34956849
3-(4-chlorophenyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893000
2-[3-bromo-7-[[4-(trifluoromethyl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol
CID 142871354
N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4894015
5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5183680
5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3746157
methyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916264
CID 89056124
CID 89056124

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol (CID 177044949) is 2-[2-[[5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol is OCCOCCNc1cc(-c2ccccc2)nc2c(-c3ccc(C(F)(F)F)cc3)cnn12.
What is the InChIKey of 2-[2-[[5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol?
The InChIKey is WGQRNUIHYFZWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c24-23(25,26)18-8-6-16(7-9-18)19-15-28-30-21(27-10-12-32-13-11-31)14-20(29-22(19)30)17-4-2-1-3-5-17/h1-9,14-15,27,31H,10-13H2.
What are the key properties of 2-[2-[[5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol?
2-[2-[[5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol has a molecular weight of 442.44 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 177044949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).