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

C16H17N3O2 — CID 3156107

IUPAC5-ethyl-3-(2-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(C)c(-c3ccccc3OC)c2n1
InChIInChI=1S/C16H17N3O2/c1-4-11-9-14(20)19-16(17-11)15(10(2)18-19)12-7-5-6-8-13(12)21-3/h5-9,18H,4H2,1-3H3
InChIKeyLMGLQLVEOQXPTB-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.57
Rot. Bonds3

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

5-ethyl-3-(2-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 3156107) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-ethyl-3-(2-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethyl-3-(2-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID3156107
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-ethyl-3-(2-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(C)c(-c3ccccc3OC)c2n1
InChIInChI=1S/C16H17N3O2/c1-4-11-9-14(20)19-16(17-11)15(10(2)18-19)12-7-5-6-8-13(12)21-3/h5-9,18H,4H2,1-3H3
InChIKeyLMGLQLVEOQXPTB-UHFFFAOYSA-N
XLogP2.57
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-ethyl-3-(2-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 3156107) is 5-ethyl-3-(2-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-ethyl-3-(2-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-ethyl-3-(2-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1cc(=O)n2[nH]c(C)c(-c3ccccc3OC)c2n1.
What is the InChIKey of 5-ethyl-3-(2-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LMGLQLVEOQXPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-4-11-9-14(20)19-16(17-11)15(10(2)18-19)12-7-5-6-8-13(12)21-3/h5-9,18H,4H2,1-3H3.
What are the key properties of 5-ethyl-3-(2-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-ethyl-3-(2-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 283.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 3156107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).