2,7-bis(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine

C21H19N3O2 — CID 2223358

IUPAC2,7-bis(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3nc(C)cc(-c4ccc(OC)cc4)n3n2)cc1
InChIInChI=1S/C21H19N3O2/c1-14-12-20(16-6-10-18(26-3)11-7-16)24-21(22-14)13-19(23-24)15-4-8-17(25-2)9-5-15/h4-13H,1-3H3
InChIKeyCJHXUCDYFYHAIN-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.39
Rot. Bonds4

About 2,7-bis(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine

2,7-bis(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 2223358) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2,7-bis(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,7-bis(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID2223358
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2,7-bis(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3nc(C)cc(-c4ccc(OC)cc4)n3n2)cc1
InChIInChI=1S/C21H19N3O2/c1-14-12-20(16-6-10-18(26-3)11-7-16)24-21(22-14)13-19(23-24)15-4-8-17(25-2)9-5-15/h4-13H,1-3H3
InChIKeyCJHXUCDYFYHAIN-UHFFFAOYSA-N
XLogP4.39
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,7-bis(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine (CID 2223358) is 2,7-bis(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,7-bis(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,7-bis(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cc3nc(C)cc(-c4ccc(OC)cc4)n3n2)cc1.
What is the InChIKey of 2,7-bis(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CJHXUCDYFYHAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-12-20(16-6-10-18(26-3)11-7-16)24-21(22-14)13-19(23-24)15-4-8-17(25-2)9-5-15/h4-13H,1-3H3.
What are the key properties of 2,7-bis(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
2,7-bis(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 345.40 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2223358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).