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

C26H32Br2N14 — CID 158134400

About 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[2-(ethylamino)ethyl]-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;6-bromo-5-[2-(ethylamino)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158134400) has the molecular formula C26H32Br2N14 and a molecular weight of 700.45 g/mol. Its IUPAC name is 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[2-(ethylamino)ethyl]-3-(1-methylpyrazol-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;6-bromo-5-[2-(ethylamino)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158134400
• Molecular Formula: C26H32Br2N14
• Molecular Weight: 700.45 g/mol
• Exact Mass: 698.13
• IUPAC Name: 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[2-(ethylamino)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CCNCCc1nc2c(-c3cnn(C)c3)cnn2c(N)c1Br.Cn1cc(-c2cnn3c(N)c(Br)c(CCN)nc23)cn1
• InChI: InChI=1S/C14H18BrN7.C12H14BrN7/c1-3-17-5-4-11-12(15)13(16)22-14(20-11)10(7-19-22)9-6-18-21(2)8-9;1-19-6-7(4-16-19)8-5-17-20-11(15)10(13)9(2-3-14)18-12(8)20/h6-8,17H,3-5,16H2,1-2H3;4-6H,2-3,14-15H2,1H3
• InChIKey: FTEBNJALOAWIMK-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 186.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.45
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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;6-bromo-5-[2-(ethylamino)ethyl]-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;6-bromo-5-[2-(ethylamino)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 158134400) is 5-(2-aminoethyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[2-(ethylamino)ethyl]-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;6-bromo-5-[2-(ethylamino)ethyl]-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;6-bromo-5-[2-(ethylamino)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CCNCCc1nc2c(-c3cnn(C)c3)cnn2c(N)c1Br.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;6-bromo-5-[2-(ethylamino)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is FTEBNJALOAWIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN7.C12H14BrN7/c1-3-17-5-4-11-12(15)13(16)22-14(20-11)10(7-19-22)9-6-18-21(2)8-9;1-19-6-7(4-16-19)8-5-17-20-11(15)10(13)9(2-3-14)18-12(8)20/h6-8,17H,3-5,16H2,1-2H3;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;6-bromo-5-[2-(ethylamino)ethyl]-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;6-bromo-5-[2-(ethylamino)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 700.45 g/mol, XLogP of 2.60, 8 rotatable bonds, 4 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;6-bromo-5-[2-(ethylamino)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158134400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).