6-ethyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H19N3O2 — CID 977455

IUPAC6-ethyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2c(-c3ccccc3OC)c(C)[nH]n2c1=O
InChIInChI=1S/C17H19N3O2/c1-5-12-10(2)18-16-15(11(3)19-20(16)17(12)21)13-8-6-7-9-14(13)22-4/h6-9,19H,5H2,1-4H3
InChIKeyXXEAEHLUWYHRSN-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.88
Rot. Bonds3

About 6-ethyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-ethyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 977455) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-ethyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID977455
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name6-ethyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2c(-c3ccccc3OC)c(C)[nH]n2c1=O
InChIInChI=1S/C17H19N3O2/c1-5-12-10(2)18-16-15(11(3)19-20(16)17(12)21)13-8-6-7-9-14(13)22-4/h6-9,19H,5H2,1-4H3
InChIKeyXXEAEHLUWYHRSN-UHFFFAOYSA-N
XLogP2.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-ethyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 977455) is 6-ethyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2c(-c3ccccc3OC)c(C)[nH]n2c1=O.
What is the InChIKey of 6-ethyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XXEAEHLUWYHRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-5-12-10(2)18-16-15(11(3)19-20(16)17(12)21)13-8-6-7-9-14(13)22-4/h6-9,19H,5H2,1-4H3.
What are the key properties of 6-ethyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-ethyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 297.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 977455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).