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

C16H17N3O4 — CID 12726115

IUPAC5-methyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cc(-c2cc3nc(C)cc(=O)n3[nH]2)cc(OC)c1OC
InChIInChI=1S/C16H17N3O4/c1-9-5-15(20)19-14(17-9)8-11(18-19)10-6-12(21-2)16(23-4)13(7-10)22-3/h5-8,18H,1-4H3
InChIKeyAJKQSCOBBJDPKY-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.02
Rot. Bonds4

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

5-methyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 12726115) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-methyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID12726115
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name5-methyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cc(-c2cc3nc(C)cc(=O)n3[nH]2)cc(OC)c1OC
InChIInChI=1S/C16H17N3O4/c1-9-5-15(20)19-14(17-9)8-11(18-19)10-6-12(21-2)16(23-4)13(7-10)22-3/h5-8,18H,1-4H3
InChIKeyAJKQSCOBBJDPKY-UHFFFAOYSA-N
XLogP2.02
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 12726115) is 5-methyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1cc(-c2cc3nc(C)cc(=O)n3[nH]2)cc(OC)c1OC.
What is the InChIKey of 5-methyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AJKQSCOBBJDPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-9-5-15(20)19-14(17-9)8-11(18-19)10-6-12(21-2)16(23-4)13(7-10)22-3/h5-8,18H,1-4H3.
What are the key properties of 5-methyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 315.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 12726115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).