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

C14H12BrN3O — CID 4775099

IUPAC3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3c(Br)c(C)nn23)cc1
InChIInChI=1S/C14H12BrN3O/c1-9-13(15)14-16-8-7-12(18(14)17-9)10-3-5-11(19-2)6-4-10/h3-8H,1-2H3
InChIKeyRRGFRJPYZGYMEI-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.48
Rot. Bonds2

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

3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 4775099) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID4775099
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3c(Br)c(C)nn23)cc1
InChIInChI=1S/C14H12BrN3O/c1-9-13(15)14-16-8-7-12(18(14)17-9)10-3-5-11(19-2)6-4-10/h3-8H,1-2H3
InChIKeyRRGFRJPYZGYMEI-UHFFFAOYSA-N
XLogP3.48
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 4775099) is 3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2ccnc3c(Br)c(C)nn23)cc1.
What is the InChIKey of 3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is RRGFRJPYZGYMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-9-13(15)14-16-8-7-12(18(14)17-9)10-3-5-11(19-2)6-4-10/h3-8H,1-2H3.
What are the key properties of 3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 318.17 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4775099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).