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

C16H17FN4O — CID 3231315

IUPAC2-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
SMILESCc1cc(NCCO)n2nc(C)c(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C16H17FN4O/c1-10-9-14(18-7-8-22)21-16(19-10)15(11(2)20-21)12-3-5-13(17)6-4-12/h3-6,9,18,22H,7-8H2,1-2H3
InChIKeyQGLUZWSVVMMPKP-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.56
Rot. Bonds4

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

2-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol (PubChem CID 3231315) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
PubChem CID3231315
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name2-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
SMILESCc1cc(NCCO)n2nc(C)c(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C16H17FN4O/c1-10-9-14(18-7-8-22)21-16(19-10)15(11(2)20-21)12-3-5-13(17)6-4-12/h3-6,9,18,22H,7-8H2,1-2H3
InChIKeyQGLUZWSVVMMPKP-UHFFFAOYSA-N
XLogP2.56
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The IUPAC name of 2-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol (CID 3231315) is 2-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol is Cc1cc(NCCO)n2nc(C)c(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The InChIKey is QGLUZWSVVMMPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-10-9-14(18-7-8-22)21-16(19-10)15(11(2)20-21)12-3-5-13(17)6-4-12/h3-6,9,18,22H,7-8H2,1-2H3.
What are the key properties of 2-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
2-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol has a molecular weight of 300.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol is sourced from PubChem (CID 3231315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).