2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol

C18H21FN4O — CID 131908924

IUPAC2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol
SMILESCc1cc(C)n2ncc(CN(CCO)Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C18H21FN4O/c1-13-9-14(2)23-18(21-13)16(10-20-23)12-22(7-8-24)11-15-3-5-17(19)6-4-15/h3-6,9-10,24H,7-8,11-12H2,1-2H3
InChIKeyXMUYDAMUBHLXNG-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.48
Rot. Bonds6

About 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol

2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol (PubChem CID 131908924) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol
PubChem CID131908924
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol
SMILESCc1cc(C)n2ncc(CN(CCO)Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C18H21FN4O/c1-13-9-14(2)23-18(21-13)16(10-20-23)12-22(7-8-24)11-15-3-5-17(19)6-4-15/h3-6,9-10,24H,7-8,11-12H2,1-2H3
InChIKeyXMUYDAMUBHLXNG-UHFFFAOYSA-N
XLogP2.48
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol?
The IUPAC name of 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol (CID 131908924) is 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol is Cc1cc(C)n2ncc(CN(CCO)Cc3ccc(F)cc3)c2n1.
What is the InChIKey of 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol?
The InChIKey is XMUYDAMUBHLXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-13-9-14(2)23-18(21-13)16(10-20-23)12-22(7-8-24)11-15-3-5-17(19)6-4-15/h3-6,9-10,24H,7-8,11-12H2,1-2H3.
What are the key properties of 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol?
2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol has a molecular weight of 328.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl-[(4-fluorophenyl)methyl]amino]ethanol is sourced from PubChem (CID 131908924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).