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

C23H23N3O3 — CID 171140472

IUPAC5-(3-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCOc1cccc(-c2cc(=O)n3[nH]c(C)c(-c4ccc(OC)c(C)c4)c3n2)c1
InChIInChI=1S/C23H23N3O3/c1-5-29-18-8-6-7-16(12-18)19-13-21(27)26-23(24-19)22(15(3)25-26)17-9-10-20(28-4)14(2)11-17/h6-13,25H,5H2,1-4H3
InChIKeyFZUMTAHSWZBARW-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.38
Rot. Bonds5

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

5-(3-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 171140472) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-(3-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(3-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID171140472
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name5-(3-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCOc1cccc(-c2cc(=O)n3[nH]c(C)c(-c4ccc(OC)c(C)c4)c3n2)c1
InChIInChI=1S/C23H23N3O3/c1-5-29-18-8-6-7-16(12-18)19-13-21(27)26-23(24-19)22(15(3)25-26)17-9-10-20(28-4)14(2)11-17/h6-13,25H,5H2,1-4H3
InChIKeyFZUMTAHSWZBARW-UHFFFAOYSA-N
XLogP4.38
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(3-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 171140472) is 5-(3-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(3-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(3-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCOc1cccc(-c2cc(=O)n3[nH]c(C)c(-c4ccc(OC)c(C)c4)c3n2)c1.
What is the InChIKey of 5-(3-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FZUMTAHSWZBARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-5-29-18-8-6-7-16(12-18)19-13-21(27)26-23(24-19)22(15(3)25-26)17-9-10-20(28-4)14(2)11-17/h6-13,25H,5H2,1-4H3.
What are the key properties of 5-(3-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(3-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 389.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 171140472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).