3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H15N3O2 — CID 1091466

IUPAC3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C)[nH]n3c(=O)cc(C)nc23)cc1
InChIInChI=1S/C15H15N3O2/c1-9-8-13(19)18-15(16-9)14(10(2)17-18)11-4-6-12(20-3)7-5-11/h4-8,17H,1-3H3
InChIKeyNYEUIBHHNYLWPB-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.32
Rot. Bonds2

About 3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 1091466) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID1091466
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C)[nH]n3c(=O)cc(C)nc23)cc1
InChIInChI=1S/C15H15N3O2/c1-9-8-13(19)18-15(16-9)14(10(2)17-18)11-4-6-12(20-3)7-5-11/h4-8,17H,1-3H3
InChIKeyNYEUIBHHNYLWPB-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-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 1091466) is 3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(C)[nH]n3c(=O)cc(C)nc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NYEUIBHHNYLWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-8-13(19)18-15(16-9)14(10(2)17-18)11-4-6-12(20-3)7-5-11/h4-8,17H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(4-methoxyphenyl)-2,5-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-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1091466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).