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

C21H19N3O4 — CID 12726116

IUPAC5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cc(-c2cc3nc(-c4ccccc4)cc(=O)n3[nH]2)cc(OC)c1OC
InChIInChI=1S/C21H19N3O4/c1-26-17-9-14(10-18(27-2)21(17)28-3)16-11-19-22-15(12-20(25)24(19)23-16)13-7-5-4-6-8-13/h4-12,23H,1-3H3
InChIKeyQIMOIBDESWKPOK-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.38
Rot. Bonds5

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

5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 12726116) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID12726116
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cc(-c2cc3nc(-c4ccccc4)cc(=O)n3[nH]2)cc(OC)c1OC
InChIInChI=1S/C21H19N3O4/c1-26-17-9-14(10-18(27-2)21(17)28-3)16-11-19-22-15(12-20(25)24(19)23-16)13-7-5-4-6-8-13/h4-12,23H,1-3H3
InChIKeyQIMOIBDESWKPOK-UHFFFAOYSA-N
XLogP3.38
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 12726116) is 5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1cc(-c2cc3nc(-c4ccccc4)cc(=O)n3[nH]2)cc(OC)c1OC.
What is the InChIKey of 5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QIMOIBDESWKPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-26-17-9-14(10-18(27-2)21(17)28-3)16-11-19-22-15(12-20(25)24(19)23-16)13-7-5-4-6-8-13/h4-12,23H,1-3H3.
What are the key properties of 5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 377.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 12726116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).