3-bromo-7-chloro-5-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidine

C11H13BrClN3 — CID 58812689

IUPAC3-bromo-7-chloro-5-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)Cc1cc(Cl)n2ncc(Br)c2n1
InChIInChI=1S/C11H13BrClN3/c1-11(2,3)5-7-4-9(13)16-10(15-7)8(12)6-14-16/h4,6H,5H2,1-3H3
InChIKeyXVGJKDVLOBNBLZ-UHFFFAOYSA-N
MW302.60 g/mol
LogP3.73
Rot. Bonds1

About 3-bromo-7-chloro-5-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidine

3-bromo-7-chloro-5-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 58812689) has the molecular formula C11H13BrClN3 and a molecular weight of 302.60 g/mol. Its IUPAC name is 3-bromo-7-chloro-5-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-chloro-5-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidine
PubChem CID58812689
Molecular FormulaC11H13BrClN3
Molecular Weight302.60 g/mol
Exact Mass301.00
IUPAC Name3-bromo-7-chloro-5-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)Cc1cc(Cl)n2ncc(Br)c2n1
InChIInChI=1S/C11H13BrClN3/c1-11(2,3)5-7-4-9(13)16-10(15-7)8(12)6-14-16/h4,6H,5H2,1-3H3
InChIKeyXVGJKDVLOBNBLZ-UHFFFAOYSA-N
XLogP3.73
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-5-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-chloro-5-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidine (CID 58812689) is 3-bromo-7-chloro-5-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-chloro-5-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-chloro-5-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidine is CC(C)(C)Cc1cc(Cl)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-7-chloro-5-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is XVGJKDVLOBNBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN3/c1-11(2,3)5-7-4-9(13)16-10(15-7)8(12)6-14-16/h4,6H,5H2,1-3H3.
What are the key properties of 3-bromo-7-chloro-5-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidine?
3-bromo-7-chloro-5-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 302.60 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-5-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 58812689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).