3-bromo-5-chloro-N-[2-(oxocan-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C15H20BrClN4O — CID 144626386

IUPAC3-bromo-5-chloro-N-[2-(oxocan-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(NCCC2CCCCOCC2)n2ncc(Br)c2n1
InChIInChI=1S/C15H20BrClN4O/c16-12-10-19-21-14(9-13(17)20-15(12)21)18-6-4-11-3-1-2-7-22-8-5-11/h9-11,18H,1-8H2
InChIKeyMBVSJFAQLUUNHK-UHFFFAOYSA-N
MW387.71 g/mol
LogP4.15
Rot. Bonds4

About 3-bromo-5-chloro-N-[2-(oxocan-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-chloro-N-[2-(oxocan-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 144626386) has the molecular formula C15H20BrClN4O and a molecular weight of 387.71 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[2-(oxocan-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[2-(oxocan-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID144626386
Molecular FormulaC15H20BrClN4O
Molecular Weight387.71 g/mol
Exact Mass386.05
IUPAC Name3-bromo-5-chloro-N-[2-(oxocan-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(NCCC2CCCCOCC2)n2ncc(Br)c2n1
InChIInChI=1S/C15H20BrClN4O/c16-12-10-19-21-14(9-13(17)20-15(12)21)18-6-4-11-3-1-2-7-22-8-5-11/h9-11,18H,1-8H2
InChIKeyMBVSJFAQLUUNHK-UHFFFAOYSA-N
XLogP4.15
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.71
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-5-chloro-N-[[(3S)-oxolan-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 118452759
2-[(3-bromo-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-cyclopentylethanesulfonamide
CID 157027125
5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918495
3-bromo-5-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 118452773
3-bromo-5-chloro-N-(3-propylhexyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 90176158
5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918943
N-[4-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]butyl]-2-cyclohexylacetamide
CID 21068045
N-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]cyclopentanecarboxamide
CID 21067895
2-[3-bromo-7-[[1-(oxan-4-yl)piperidin-3-yl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol
CID 143441919
6-bromo-5-chloro-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine
CID 87246735
3-bromo-5-chloro-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 176916956
N-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N'-cyclobutyl-N'-methylpropane-1,3-diamine
CID 21068400

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[2-(oxocan-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-chloro-N-[2-(oxocan-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 144626386) is 3-bromo-5-chloro-N-[2-(oxocan-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-[2-(oxocan-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-chloro-N-[2-(oxocan-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is Clc1cc(NCCC2CCCCOCC2)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-5-chloro-N-[2-(oxocan-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MBVSJFAQLUUNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN4O/c16-12-10-19-21-14(9-13(17)20-15(12)21)18-6-4-11-3-1-2-7-22-8-5-11/h9-11,18H,1-8H2.
What are the key properties of 3-bromo-5-chloro-N-[2-(oxocan-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-chloro-N-[2-(oxocan-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 387.71 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[2-(oxocan-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 144626386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).