7-chloro-5,6-dimethyl-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine

C12H14ClN3O — CID 82269865

IUPAC7-chloro-5,6-dimethyl-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nc2cc(C3CCCO3)nn2c(Cl)c1C
InChIInChI=1S/C12H14ClN3O/c1-7-8(2)14-11-6-9(10-4-3-5-17-10)15-16(11)12(7)13/h6,10H,3-5H2,1-2H3
InChIKeyJBMNWQINSKAICA-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.85
Rot. Bonds1

About 7-chloro-5,6-dimethyl-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine

7-chloro-5,6-dimethyl-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 82269865) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 7-chloro-5,6-dimethyl-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5,6-dimethyl-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID82269865
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name7-chloro-5,6-dimethyl-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nc2cc(C3CCCO3)nn2c(Cl)c1C
InChIInChI=1S/C12H14ClN3O/c1-7-8(2)14-11-6-9(10-4-3-5-17-10)15-16(11)12(7)13/h6,10H,3-5H2,1-2H3
InChIKeyJBMNWQINSKAICA-UHFFFAOYSA-N
XLogP2.85
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5,6-dimethyl-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5,6-dimethyl-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine (CID 82269865) is 7-chloro-5,6-dimethyl-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5,6-dimethyl-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5,6-dimethyl-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine is Cc1nc2cc(C3CCCO3)nn2c(Cl)c1C.
What is the InChIKey of 7-chloro-5,6-dimethyl-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is JBMNWQINSKAICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-7-8(2)14-11-6-9(10-4-3-5-17-10)15-16(11)12(7)13/h6,10H,3-5H2,1-2H3.
What are the key properties of 7-chloro-5,6-dimethyl-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine?
7-chloro-5,6-dimethyl-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 251.72 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5,6-dimethyl-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82269865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).