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

C22H21N3O3 — CID 4594952

IUPAC2-benzyl-5-(methoxymethyl)-3-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1cc(=O)n2[nH]c(Cc3ccccc3)c(-c3ccc(OC)cc3)c2n1
InChIInChI=1S/C22H21N3O3/c1-27-14-17-13-20(26)25-22(23-17)21(16-8-10-18(28-2)11-9-16)19(24-25)12-15-6-4-3-5-7-15/h3-11,13,24H,12,14H2,1-2H3
InChIKeyUNWBVEBVLILHGN-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.44
Rot. Bonds6

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

2-benzyl-5-(methoxymethyl)-3-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 4594952) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-benzyl-5-(methoxymethyl)-3-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-benzyl-5-(methoxymethyl)-3-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID4594952
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-benzyl-5-(methoxymethyl)-3-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1cc(=O)n2[nH]c(Cc3ccccc3)c(-c3ccc(OC)cc3)c2n1
InChIInChI=1S/C22H21N3O3/c1-27-14-17-13-20(26)25-22(23-17)21(16-8-10-18(28-2)11-9-16)19(24-25)12-15-6-4-3-5-7-15/h3-11,13,24H,12,14H2,1-2H3
InChIKeyUNWBVEBVLILHGN-UHFFFAOYSA-N
XLogP3.44
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-3-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 971409
2-(3-Methoxyphenyl)-5-phenylpyrazolo[1,5-A]pyrimidin-7-OL
CID 2818874
Ethyl [7-hydroxy-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]acetate
CID 3160182
2-(4-methoxybenzyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 879313
2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-phenyl-1H-pyrimidin-4-one
CID 135437680
6-benzyl-2-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 667143
2-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-ol
CID 807711
Ethyl [7-hydroxy-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetate
CID 1084421
2-(phenoxymethyl)-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1266350
6-chloro-2-(4-methoxybenzyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 1370213
2-(4-Methoxyphenyl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1851458
6-benzyl-5-methyl-2-(phenoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1851938

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(methoxymethyl)-3-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-benzyl-5-(methoxymethyl)-3-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 4594952) is 2-benzyl-5-(methoxymethyl)-3-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-benzyl-5-(methoxymethyl)-3-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-benzyl-5-(methoxymethyl)-3-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COCc1cc(=O)n2[nH]c(Cc3ccccc3)c(-c3ccc(OC)cc3)c2n1.
What is the InChIKey of 2-benzyl-5-(methoxymethyl)-3-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UNWBVEBVLILHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-27-14-17-13-20(26)25-22(23-17)21(16-8-10-18(28-2)11-9-16)19(24-25)12-15-6-4-3-5-7-15/h3-11,13,24H,12,14H2,1-2H3.
What are the key properties of 2-benzyl-5-(methoxymethyl)-3-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-benzyl-5-(methoxymethyl)-3-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 375.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(methoxymethyl)-3-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 4594952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).