5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H19N3O4 — CID 653664

IUPAC5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cc(-c2cc3nc(C)c(C)c(=O)n3[nH]2)cc(OC)c1OC
InChIInChI=1S/C17H19N3O4/c1-9-10(2)18-15-8-12(19-20(15)17(9)21)11-6-13(22-3)16(24-5)14(7-11)23-4/h6-8,19H,1-5H3
InChIKeyCODRLRMNZRWKKU-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.33
Rot. Bonds4

About 5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 653664) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID653664
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cc(-c2cc3nc(C)c(C)c(=O)n3[nH]2)cc(OC)c1OC
InChIInChI=1S/C17H19N3O4/c1-9-10(2)18-15-8-12(19-20(15)17(9)21)11-6-13(22-3)16(24-5)14(7-11)23-4/h6-8,19H,1-5H3
InChIKeyCODRLRMNZRWKKU-UHFFFAOYSA-N
XLogP2.33
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 653664) is 5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1cc(-c2cc3nc(C)c(C)c(=O)n3[nH]2)cc(OC)c1OC.
What is the InChIKey of 5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CODRLRMNZRWKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-9-10(2)18-15-8-12(19-20(15)17(9)21)11-6-13(22-3)16(24-5)14(7-11)23-4/h6-8,19H,1-5H3.
What are the key properties of 5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 329.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 653664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).