5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C12H15N7 — CID 71108507

About 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71108507) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 71108507
• Molecular Formula: C12H15N7
• Molecular Weight: 257.30 g/mol
• Exact Mass: 257.14
• IUPAC Name: 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: NCCCc1cc(N)n2ncc(-c3cn[nH]c3)c2n1
• InChI: InChI=1S/C12H15N7/c13-3-1-2-9-4-11(14)19-12(18-9)10(7-17-19)8-5-15-16-6-8/h4-7H,1-3,13-14H2,(H,15,16)
• InChIKey: OOTYSFLEBPCDMI-UHFFFAOYSA-N
• XLogP: 0.59
• TPSA: 110.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	257.30
LogP ≤ 5	0.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 71108507) is 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is NCCCc1cc(N)n2ncc(-c3cn[nH]c3)c2n1.

What is the InChIKey of 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is OOTYSFLEBPCDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c13-3-1-2-9-4-11(14)19-12(18-9)10(7-17-19)8-5-15-16-6-8/h4-7H,1-3,13-14H2,(H,15,16).

What are the key properties of 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 257.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-aminopropyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71108507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).