3-bromo-7-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine

C11H12BrClN4 — CID 89363808

IUPAC3-bromo-7-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(C2CCCNC2)nc2c(Br)cnn12
InChIInChI=1S/C11H12BrClN4/c12-8-6-15-17-10(13)4-9(16-11(8)17)7-2-1-3-14-5-7/h4,6-7,14H,1-3,5H2
InChIKeyPFLXYCRUXKNUSL-UHFFFAOYSA-N
MW315.60 g/mol
LogP2.61
Rot. Bonds1

About 3-bromo-7-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine

3-bromo-7-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 89363808) has the molecular formula C11H12BrClN4 and a molecular weight of 315.60 g/mol. Its IUPAC name is 3-bromo-7-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine
PubChem CID89363808
Molecular FormulaC11H12BrClN4
Molecular Weight315.60 g/mol
Exact Mass313.99
IUPAC Name3-bromo-7-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(C2CCCNC2)nc2c(Br)cnn12
InChIInChI=1S/C11H12BrClN4/c12-8-6-15-17-10(13)4-9(16-11(8)17)7-2-1-3-14-5-7/h4,6-7,14H,1-3,5H2
InChIKeyPFLXYCRUXKNUSL-UHFFFAOYSA-N
XLogP2.61
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine (CID 89363808) is 3-bromo-7-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine is Clc1cc(C2CCCNC2)nc2c(Br)cnn12.
What is the InChIKey of 3-bromo-7-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is PFLXYCRUXKNUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN4/c12-8-6-15-17-10(13)4-9(16-11(8)17)7-2-1-3-14-5-7/h4,6-7,14H,1-3,5H2.
What are the key properties of 3-bromo-7-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine?
3-bromo-7-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 315.60 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 89363808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).