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

C14H12BrN3 — CID 2982854

IUPAC7-(4-bromophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ccc(Br)cc2)n2nc(C)cc2n1
InChIInChI=1S/C14H12BrN3/c1-9-7-13(11-3-5-12(15)6-4-11)18-14(16-9)8-10(2)17-18/h3-8H,1-2H3
InChIKeyFPESOCACLCATIM-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.78
Rot. Bonds1

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

7-(4-bromophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 2982854) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 7-(4-bromophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-bromophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID2982854
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name7-(4-bromophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ccc(Br)cc2)n2nc(C)cc2n1
InChIInChI=1S/C14H12BrN3/c1-9-7-13(11-3-5-12(15)6-4-11)18-14(16-9)8-10(2)17-18/h3-8H,1-2H3
InChIKeyFPESOCACLCATIM-UHFFFAOYSA-N
XLogP3.78
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-bromophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-bromophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine (CID 2982854) is 7-(4-bromophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-bromophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-bromophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(-c2ccc(Br)cc2)n2nc(C)cc2n1.
What is the InChIKey of 7-(4-bromophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is FPESOCACLCATIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-9-7-13(11-3-5-12(15)6-4-11)18-14(16-9)8-10(2)17-18/h3-8H,1-2H3.
What are the key properties of 7-(4-bromophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
7-(4-bromophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 302.18 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2982854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).