2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine

C23H23N3O2 — CID 11222555

IUPAC2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2c(-c3cccc(OC)c3)nn3c(C)c(C)c(C)nc23)cc1
InChIInChI=1S/C23H23N3O2/c1-14-15(2)24-23-21(17-9-11-19(27-4)12-10-17)22(25-26(23)16(14)3)18-7-6-8-20(13-18)28-5/h6-13H,1-5H3
InChIKeyFPNXLINAFNHILL-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.01
Rot. Bonds4

About 2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine

2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 11222555) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine
PubChem CID11222555
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2c(-c3cccc(OC)c3)nn3c(C)c(C)c(C)nc23)cc1
InChIInChI=1S/C23H23N3O2/c1-14-15(2)24-23-21(17-9-11-19(27-4)12-10-17)22(25-26(23)16(14)3)18-7-6-8-20(13-18)28-5/h6-13H,1-5H3
InChIKeyFPNXLINAFNHILL-UHFFFAOYSA-N
XLogP5.01
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 11488572
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidine
CID 11373375
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
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 11370947
5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1288372
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile
CID 176522061
2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile
CID 94282086
3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole
CID 19587307
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine (CID 11222555) is 2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2c(-c3cccc(OC)c3)nn3c(C)c(C)c(C)nc23)cc1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is FPNXLINAFNHILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-14-15(2)24-23-21(17-9-11-19(27-4)12-10-17)22(25-26(23)16(14)3)18-7-6-8-20(13-18)28-5/h6-13H,1-5H3.
What are the key properties of 2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine?
2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 373.46 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 11222555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).