5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C12H14BrN7 — CID 53326006

IUPAC5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)c(Br)c(CCN)nc23)cn1
InChIInChI=1S/C12H14BrN7/c1-19-6-7(4-16-19)8-5-17-20-11(15)10(13)9(2-3-14)18-12(8)20/h4-6H,2-3,14-15H2,1H3
InChIKeyCDSFDYJYGXSDLX-UHFFFAOYSA-N
MW336.20 g/mol
LogP0.98
Rot. Bonds3

About 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53326006) has the molecular formula C12H14BrN7 and a molecular weight of 336.20 g/mol. Its IUPAC name is 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID53326006
Molecular FormulaC12H14BrN7
Molecular Weight336.20 g/mol
Exact Mass335.05
IUPAC Name5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)c(Br)c(CCN)nc23)cn1
InChIInChI=1S/C12H14BrN7/c1-19-6-7(4-16-19)8-5-17-20-11(15)10(13)9(2-3-14)18-12(8)20/h4-6H,2-3,14-15H2,1H3
InChIKeyCDSFDYJYGXSDLX-UHFFFAOYSA-N
XLogP0.98
TPSA100.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 53326006) is 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(N)c(Br)c(CCN)nc23)cn1.
What is the InChIKey of 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CDSFDYJYGXSDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN7/c1-19-6-7(4-16-19)8-5-17-20-11(15)10(13)9(2-3-14)18-12(8)20/h4-6H,2-3,14-15H2,1H3.
What are the key properties of 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 336.20 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53326006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).