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

C15H15N3O2 — CID 82273540

IUPAC3-(2-methoxyphenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1-c1c[nH]n2c(=O)c(C)c(C)nc12
InChIInChI=1S/C15H15N3O2/c1-9-10(2)17-14-12(8-16-18(14)15(9)19)11-6-4-5-7-13(11)20-3/h4-8,16H,1-3H3
InChIKeyDMKDIEPUOBVWHZ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.32
Rot. Bonds2

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

3-(2-methoxyphenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82273540) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82273540
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-(2-methoxyphenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1-c1c[nH]n2c(=O)c(C)c(C)nc12
InChIInChI=1S/C15H15N3O2/c1-9-10(2)17-14-12(8-16-18(14)15(9)19)11-6-4-5-7-13(11)20-3/h4-8,16H,1-3H3
InChIKeyDMKDIEPUOBVWHZ-UHFFFAOYSA-N
XLogP2.32
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(2-methoxyphenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82273540) is 3-(2-methoxyphenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(2-methoxyphenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccccc1-c1c[nH]n2c(=O)c(C)c(C)nc12.
What is the InChIKey of 3-(2-methoxyphenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DMKDIEPUOBVWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-10(2)17-14-12(8-16-18(14)15(9)19)11-6-4-5-7-13(11)20-3/h4-8,16H,1-3H3.
What are the key properties of 3-(2-methoxyphenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(2-methoxyphenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 269.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82273540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).