3-(3-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine

C14H12BrN3 — CID 675402

IUPAC3-(3-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(-c3cccc(Br)c3)c2n1
InChIInChI=1S/C14H12BrN3/c1-9-6-10(2)18-14(17-9)13(8-16-18)11-4-3-5-12(15)7-11/h3-8H,1-2H3
InChIKeyVCLPEIYGFSLHEN-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.78
Rot. Bonds1

About 3-(3-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine

3-(3-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 675402) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(3-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID675402
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name3-(3-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(-c3cccc(Br)c3)c2n1
InChIInChI=1S/C14H12BrN3/c1-9-6-10(2)18-14(17-9)13(8-16-18)11-4-3-5-12(15)7-11/h3-8H,1-2H3
InChIKeyVCLPEIYGFSLHEN-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 3-(3-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(3-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine (CID 675402) is 3-(3-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(3-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(3-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2ncc(-c3cccc(Br)c3)c2n1.
What is the InChIKey of 3-(3-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is VCLPEIYGFSLHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-9-6-10(2)18-14(17-9)13(8-16-18)11-4-3-5-12(15)7-11/h3-8H,1-2H3.
What are the key properties of 3-(3-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
3-(3-bromophenyl)-5,7-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 3-(3-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 675402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).