6-bromo-2-propylpyrazolo[1,5-a]pyrimidine

C9H10BrN3 — CID 104619391

IUPAC6-bromo-2-propylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc2ncc(Br)cn2n1
InChIInChI=1S/C9H10BrN3/c1-2-3-8-4-9-11-5-7(10)6-13(9)12-8/h4-6H,2-3H2,1H3
InChIKeyXCNLINRTWAPHAW-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.44
Rot. Bonds2

About 6-bromo-2-propylpyrazolo[1,5-a]pyrimidine

6-bromo-2-propylpyrazolo[1,5-a]pyrimidine (PubChem CID 104619391) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 6-bromo-2-propylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-bromo-2-propylpyrazolo[1,5-a]pyrimidine
PubChem CID104619391
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name6-bromo-2-propylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc2ncc(Br)cn2n1
InChIInChI=1S/C9H10BrN3/c1-2-3-8-4-9-11-5-7(10)6-13(9)12-8/h4-6H,2-3H2,1H3
InChIKeyXCNLINRTWAPHAW-UHFFFAOYSA-N
XLogP2.44
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-propylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-bromo-2-propylpyrazolo[1,5-a]pyrimidine (CID 104619391) is 6-bromo-2-propylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-bromo-2-propylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-bromo-2-propylpyrazolo[1,5-a]pyrimidine is CCCc1cc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-2-propylpyrazolo[1,5-a]pyrimidine?
The InChIKey is XCNLINRTWAPHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c1-2-3-8-4-9-11-5-7(10)6-13(9)12-8/h4-6H,2-3H2,1H3.
What are the key properties of 6-bromo-2-propylpyrazolo[1,5-a]pyrimidine?
6-bromo-2-propylpyrazolo[1,5-a]pyrimidine has a molecular weight of 240.10 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-propylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 104619391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).