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

C14H18BrN7 — CID 24821405

IUPAC5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(N)CCc1nc2c(-c3cnn(C)c3)cnn2c(N)c1Br
InChIInChI=1S/C14H18BrN7/c1-8(16)3-4-11-12(15)13(17)22-14(20-11)10(6-19-22)9-5-18-21(2)7-9/h5-8H,3-4,16-17H2,1-2H3
InChIKeyLLTKFFXCYICMCL-UHFFFAOYSA-N
MW364.25 g/mol
LogP1.75
Rot. Bonds4

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

5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 24821405) has the molecular formula C14H18BrN7 and a molecular weight of 364.25 g/mol. Its IUPAC name is 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID24821405
Molecular FormulaC14H18BrN7
Molecular Weight364.25 g/mol
Exact Mass363.08
IUPAC Name5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(N)CCc1nc2c(-c3cnn(C)c3)cnn2c(N)c1Br
InChIInChI=1S/C14H18BrN7/c1-8(16)3-4-11-12(15)13(17)22-14(20-11)10(6-19-22)9-5-18-21(2)7-9/h5-8H,3-4,16-17H2,1-2H3
InChIKeyLLTKFFXCYICMCL-UHFFFAOYSA-N
XLogP1.75
TPSA100.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 24821405) is 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(N)CCc1nc2c(-c3cnn(C)c3)cnn2c(N)c1Br.
What is the InChIKey of 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LLTKFFXCYICMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN7/c1-8(16)3-4-11-12(15)13(17)22-14(20-11)10(6-19-22)9-5-18-21(2)7-9/h5-8H,3-4,16-17H2,1-2H3.
What are the key properties of 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 364.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 24821405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).