2-[[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol

C18H21FN4O — CID 3231332

IUPAC2-[[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol
SMILESCCc1nn2c(N(C)CCO)cc(C)nc2c1-c1ccc(F)cc1
InChIInChI=1S/C18H21FN4O/c1-4-15-17(13-5-7-14(19)8-6-13)18-20-12(2)11-16(23(18)21-15)22(3)9-10-24/h5-8,11,24H,4,9-10H2,1-3H3
InChIKeyMUBUGTYTKYAYII-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.83
Rot. Bonds5

About 2-[[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol

2-[[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol (PubChem CID 3231332) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol
PubChem CID3231332
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name2-[[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol
SMILESCCc1nn2c(N(C)CCO)cc(C)nc2c1-c1ccc(F)cc1
InChIInChI=1S/C18H21FN4O/c1-4-15-17(13-5-7-14(19)8-6-13)18-20-12(2)11-16(23(18)21-15)22(3)9-10-24/h5-8,11,24H,4,9-10H2,1-3H3
InChIKeyMUBUGTYTKYAYII-UHFFFAOYSA-N
XLogP2.83
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol?
The IUPAC name of 2-[[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol (CID 3231332) is 2-[[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol is CCc1nn2c(N(C)CCO)cc(C)nc2c1-c1ccc(F)cc1.
What is the InChIKey of 2-[[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol?
The InChIKey is MUBUGTYTKYAYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-4-15-17(13-5-7-14(19)8-6-13)18-20-12(2)11-16(23(18)21-15)22(3)9-10-24/h5-8,11,24H,4,9-10H2,1-3H3.
What are the key properties of 2-[[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol?
2-[[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol has a molecular weight of 328.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol is sourced from PubChem (CID 3231332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).