5,7-dichloro-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine

C10H9Cl2N3O — CID 168921939

IUPAC5,7-dichloro-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cc(Cl)n2nc(C3CCCO3)cc2n1
InChIInChI=1S/C10H9Cl2N3O/c11-8-5-9(12)15-10(13-8)4-6(14-15)7-2-1-3-16-7/h4-5,7H,1-3H2
InChIKeyCTZLEIIBZVFUAP-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.89
Rot. Bonds1

About 5,7-dichloro-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine

5,7-dichloro-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 168921939) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is 5,7-dichloro-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID168921939
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name5,7-dichloro-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cc(Cl)n2nc(C3CCCO3)cc2n1
InChIInChI=1S/C10H9Cl2N3O/c11-8-5-9(12)15-10(13-8)4-6(14-15)7-2-1-3-16-7/h4-5,7H,1-3H2
InChIKeyCTZLEIIBZVFUAP-UHFFFAOYSA-N
XLogP2.89
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine (CID 168921939) is 5,7-dichloro-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine is Clc1cc(Cl)n2nc(C3CCCO3)cc2n1.
What is the InChIKey of 5,7-dichloro-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is CTZLEIIBZVFUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c11-8-5-9(12)15-10(13-8)4-6(14-15)7-2-1-3-16-7/h4-5,7H,1-3H2.
What are the key properties of 5,7-dichloro-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine?
5,7-dichloro-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 258.11 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 168921939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).