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

C15H15N3O — CID 754731

IUPAC2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3nc(C)cc(C)n3n2)cc1
InChIInChI=1S/C15H15N3O/c1-10-8-11(2)18-15(16-10)9-14(17-18)12-4-6-13(19-3)7-5-12/h4-9H,1-3H3
InChIKeyCMJGBTXOHJQXLC-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.02
Rot. Bonds2

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

2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 754731) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID754731
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3nc(C)cc(C)n3n2)cc1
InChIInChI=1S/C15H15N3O/c1-10-8-11(2)18-15(16-10)9-14(17-18)12-4-6-13(19-3)7-5-12/h4-9H,1-3H3
InChIKeyCMJGBTXOHJQXLC-UHFFFAOYSA-N
XLogP3.02
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine (CID 754731) is 2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cc3nc(C)cc(C)n3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CMJGBTXOHJQXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-8-11(2)18-15(16-10)9-14(17-18)12-4-6-13(19-3)7-5-12/h4-9H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 253.30 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 754731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).