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

C25H33BrN14 — CID 143656286

About 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(2-methyl-1,5-dihydropyrazol-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;5-(3-aminopropyl)-3-(2-methyl-1,5-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143656286) has the molecular formula C25H33BrN14 and a molecular weight of 609.54 g/mol. Its IUPAC name is 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(2-methyl-1,5-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(2-methyl-1,5-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 143656286
• Molecular Formula: C25H33BrN14
• Molecular Weight: 609.54 g/mol
• Exact Mass: 608.22
• IUPAC Name: 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(2-methyl-1,5-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CN1C=C(c2cnn3c(N)cc(CCCN)nc23)CN1.Cn1cc(-c2cnn3c(N)c(Br)c(CCN)nc23)cn1
• InChI: InChI=1S/C13H19N7.C12H14BrN7/c1-19-8-9(6-16-19)11-7-17-20-12(15)5-10(3-2-4-14)18-13(11)20;1-19-6-7(4-16-19)8-5-17-20-11(15)10(13)9(2-3-14)18-12(8)20/h5,7-8,16H,2-4,6,14-15H2,1H3;4-6H,2-3,14-15H2,1H3
• InChIKey: JXRIAZHOYIHOCT-UHFFFAOYSA-N
• XLogP: 0.97
• TPSA: 197.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.54
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

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;5-(3-aminopropyl)-3-(2-methyl-1,5-dihydropyrazol-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;5-(3-aminopropyl)-3-(2-methyl-1,5-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 143656286) is 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminopropyl)-3-(2-methyl-1,5-dihydropyrazol-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;5-(3-aminopropyl)-3-(2-methyl-1,5-dihydropyrazol-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;5-(3-aminopropyl)-3-(2-methyl-1,5-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CN1C=C(c2cnn3c(N)cc(CCCN)nc23)CN1.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;5-(3-aminopropyl)-3-(2-methyl-1,5-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is JXRIAZHOYIHOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7.C12H14BrN7/c1-19-8-9(6-16-19)11-7-17-20-12(15)5-10(3-2-4-14)18-13(11)20;1-19-6-7(4-16-19)8-5-17-20-11(15)10(13)9(2-3-14)18-12(8)20/h5,7-8,16H,2-4,6,14-15H2,1H3;4-6H,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-(3-aminopropyl)-3-(2-methyl-1,5-dihydropyrazol-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;5-(3-aminopropyl)-3-(2-methyl-1,5-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 609.54 g/mol, XLogP of 0.97, 7 rotatable bonds, 5 hydrogen bond donors, and 14 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;5-(3-aminopropyl)-3-(2-methyl-1,5-dihydropyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143656286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).