7-chloro-3-ethyl-5-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine

C12H14ClN3O — CID 22309026

IUPAC7-chloro-3-ethyl-5-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c(Cl)cc(C3CCCO3)nc12
InChIInChI=1S/C12H14ClN3O/c1-2-8-7-14-16-11(13)6-9(15-12(8)16)10-4-3-5-17-10/h6-7,10H,2-5H2,1H3
InChIKeyDUZCXGFEGHLVKB-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.80
Rot. Bonds2

About 7-chloro-3-ethyl-5-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine

7-chloro-3-ethyl-5-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 22309026) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 7-chloro-3-ethyl-5-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-ethyl-5-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID22309026
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name7-chloro-3-ethyl-5-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c(Cl)cc(C3CCCO3)nc12
InChIInChI=1S/C12H14ClN3O/c1-2-8-7-14-16-11(13)6-9(15-12(8)16)10-4-3-5-17-10/h6-7,10H,2-5H2,1H3
InChIKeyDUZCXGFEGHLVKB-UHFFFAOYSA-N
XLogP2.80
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-5-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-3-ethyl-5-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine (CID 22309026) is 7-chloro-3-ethyl-5-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-3-ethyl-5-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-3-ethyl-5-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine is CCc1cnn2c(Cl)cc(C3CCCO3)nc12.
What is the InChIKey of 7-chloro-3-ethyl-5-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is DUZCXGFEGHLVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-2-8-7-14-16-11(13)6-9(15-12(8)16)10-4-3-5-17-10/h6-7,10H,2-5H2,1H3.
What are the key properties of 7-chloro-3-ethyl-5-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine?
7-chloro-3-ethyl-5-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 251.72 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethyl-5-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 22309026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).