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

C26H21N3O — CID 3403740

IUPAC3-(2-methoxyphenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1c(C)nn2c(-c3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C26H21N3O/c1-18-25(21-15-9-10-16-24(21)30-2)26-27-22(19-11-5-3-6-12-19)17-23(29(26)28-18)20-13-7-4-8-14-20/h3-17H,1-2H3
InChIKeyOVSLVOSBXLFPBZ-UHFFFAOYSA-N
MW391.47 g/mol
LogP6.05
Rot. Bonds4

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

3-(2-methoxyphenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine (PubChem CID 3403740) has the molecular formula C26H21N3O and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
PubChem CID3403740
Molecular FormulaC26H21N3O
Molecular Weight391.47 g/mol
Exact Mass391.17
IUPAC Name3-(2-methoxyphenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1c(C)nn2c(-c3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C26H21N3O/c1-18-25(21-15-9-10-16-24(21)30-2)26-27-22(19-11-5-3-6-12-19)17-23(29(26)28-18)20-13-7-4-8-14-20/h3-17H,1-2H3
InChIKeyOVSLVOSBXLFPBZ-UHFFFAOYSA-N
XLogP6.05
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(2-methoxyphenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine (CID 3403740) is 3-(2-methoxyphenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(2-methoxyphenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine is COc1ccccc1-c1c(C)nn2c(-c3ccccc3)cc(-c3ccccc3)nc12.
What is the InChIKey of 3-(2-methoxyphenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is OVSLVOSBXLFPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O/c1-18-25(21-15-9-10-16-24(21)30-2)26-27-22(19-11-5-3-6-12-19)17-23(29(26)28-18)20-13-7-4-8-14-20/h3-17H,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine?
3-(2-methoxyphenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 391.47 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3403740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).