2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H19N3O2 — CID 17168379

IUPAC2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)c(CCO)c(C)nc2c1-c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-3-14-15(12-7-5-4-6-8-12)16-18-11(2)13(9-10-21)17(22)20(16)19-14/h4-8,19,21H,3,9-10H2,1-2H3
InChIKeyOBKBAUWFPFMGMV-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.10
Rot. Bonds4

About 2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 17168379) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID17168379
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)c(CCO)c(C)nc2c1-c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-3-14-15(12-7-5-4-6-8-12)16-18-11(2)13(9-10-21)17(22)20(16)19-14/h4-8,19,21H,3,9-10H2,1-2H3
InChIKeyOBKBAUWFPFMGMV-UHFFFAOYSA-N
XLogP2.10
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 17168379) is 2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1[nH]n2c(=O)c(CCO)c(C)nc2c1-c1ccccc1.
What is the InChIKey of 2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OBKBAUWFPFMGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-14-15(12-7-5-4-6-8-12)16-18-11(2)13(9-10-21)17(22)20(16)19-14/h4-8,19,21H,3,9-10H2,1-2H3.
What are the key properties of 2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 297.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 17168379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).