3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine

C32H25N3O2 — CID 11488572

IUPAC3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2nn3c(-c4ccccc4)cc(-c4ccccc4)nc3c2-c2cccc(OC)c2)cc1
InChIInChI=1S/C32H25N3O2/c1-36-26-18-16-24(17-19-26)31-30(25-14-9-15-27(20-25)37-2)32-33-28(22-10-5-3-6-11-22)21-29(35(32)34-31)23-12-7-4-8-13-23/h3-21H,1-2H3
InChIKeyQRYDCGGAXIBGOZ-UHFFFAOYSA-N
MW483.57 g/mol
LogP7.41
Rot. Bonds6

About 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine

3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine (PubChem CID 11488572) has the molecular formula C32H25N3O2 and a molecular weight of 483.57 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine
PubChem CID11488572
Molecular FormulaC32H25N3O2
Molecular Weight483.57 g/mol
Exact Mass483.19
IUPAC Name3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2nn3c(-c4ccccc4)cc(-c4ccccc4)nc3c2-c2cccc(OC)c2)cc1
InChIInChI=1S/C32H25N3O2/c1-36-26-18-16-24(17-19-26)31-30(25-14-9-15-27(20-25)37-2)32-33-28(22-10-5-3-6-11-22)21-29(35(32)34-31)23-12-7-4-8-13-23/h3-21H,1-2H3
InChIKeyQRYDCGGAXIBGOZ-UHFFFAOYSA-N
XLogP7.41
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine
CID 11373375
2-(4,6-diphenylpyrimidin-2-yl)-3,5,7-triphenylpyrazolo[1,5-a]pyrimidine
CID 145133537
2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 11222555
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 11370947
5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane
CID 142295561
5,7-ditert-butyl-3-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
CID 11165871
3-(4-chlorophenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 3802120
7-ethyl-8-(3-methoxyphenyl)-2-(4-phenylphenyl)imidazo[1,2-a]pyridine
CID 58880577
5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1288372
6-(4-methoxyphenyl)-4-(4-methylphenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
CID 134695204
2-methyl-3,5-diphenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 17172566
7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957585

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine (CID 11488572) is 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2nn3c(-c4ccccc4)cc(-c4ccccc4)nc3c2-c2cccc(OC)c2)cc1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is QRYDCGGAXIBGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O2/c1-36-26-18-16-24(17-19-26)31-30(25-14-9-15-27(20-25)37-2)32-33-28(22-10-5-3-6-11-22)21-29(35(32)34-31)23-12-7-4-8-13-23/h3-21H,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine?
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 483.57 g/mol, XLogP of 7.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 11488572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).