3-bromo-7-chloro-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine

C11H11BrClN3O — CID 21066434

IUPAC3-bromo-7-chloro-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cc(C2CCOCC2)nc2c(Br)cnn12
InChIInChI=1S/C11H11BrClN3O/c12-8-6-14-16-10(13)5-9(15-11(8)16)7-1-3-17-4-2-7/h5-7H,1-4H2
InChIKeyLJNFKIQODDUSMN-UHFFFAOYSA-N
MW316.59 g/mol
LogP3.04
Rot. Bonds1

About 3-bromo-7-chloro-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine

3-bromo-7-chloro-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 21066434) has the molecular formula C11H11BrClN3O and a molecular weight of 316.59 g/mol. Its IUPAC name is 3-bromo-7-chloro-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-chloro-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID21066434
Molecular FormulaC11H11BrClN3O
Molecular Weight316.59 g/mol
Exact Mass314.98
IUPAC Name3-bromo-7-chloro-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cc(C2CCOCC2)nc2c(Br)cnn12
InChIInChI=1S/C11H11BrClN3O/c12-8-6-14-16-10(13)5-9(15-11(8)16)7-1-3-17-4-2-7/h5-7H,1-4H2
InChIKeyLJNFKIQODDUSMN-UHFFFAOYSA-N
XLogP3.04
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-chloro-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine (CID 21066434) is 3-bromo-7-chloro-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-chloro-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-chloro-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine is Clc1cc(C2CCOCC2)nc2c(Br)cnn12.
What is the InChIKey of 3-bromo-7-chloro-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is LJNFKIQODDUSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O/c12-8-6-14-16-10(13)5-9(15-11(8)16)7-1-3-17-4-2-7/h5-7H,1-4H2.
What are the key properties of 3-bromo-7-chloro-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine?
3-bromo-7-chloro-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 316.59 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21066434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).