5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine

C8H7Cl2N3 — CID 112694464

IUPAC5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cc2nc(Cl)cc(Cl)n2n1
InChIInChI=1S/C8H7Cl2N3/c1-2-5-3-8-11-6(9)4-7(10)13(8)12-5/h3-4H,2H2,1H3
InChIKeyGAXQAJJHZVZJGO-UHFFFAOYSA-N
MW216.07 g/mol
LogP2.60
Rot. Bonds1

About 5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine

5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine (PubChem CID 112694464) has the molecular formula C8H7Cl2N3 and a molecular weight of 216.07 g/mol. Its IUPAC name is 5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine
PubChem CID112694464
Molecular FormulaC8H7Cl2N3
Molecular Weight216.07 g/mol
Exact Mass215.00
IUPAC Name5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cc2nc(Cl)cc(Cl)n2n1
InChIInChI=1S/C8H7Cl2N3/c1-2-5-3-8-11-6(9)4-7(10)13(8)12-5/h3-4H,2H2,1H3
InChIKeyGAXQAJJHZVZJGO-UHFFFAOYSA-N
XLogP2.60
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine (CID 112694464) is 5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine is CCc1cc2nc(Cl)cc(Cl)n2n1.
What is the InChIKey of 5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is GAXQAJJHZVZJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3/c1-2-5-3-8-11-6(9)4-7(10)13(8)12-5/h3-4H,2H2,1H3.
What are the key properties of 5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine?
5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 216.07 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-ethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 112694464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).