7-amino-5-[2-(1-tert-butylpyrazol-3-yl)ethylamino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C19H26N8 — CID 164570630

About 7-amino-5-[2-(1-tert-butylpyrazol-3-yl)ethylamino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-5-[2-(1-tert-butylpyrazol-3-yl)ethylamino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 164570630) has the molecular formula C19H26N8 and a molecular weight of 366.47 g/mol. Its IUPAC name is 7-amino-5-[2-(1-tert-butylpyrazol-3-yl)ethylamino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

• Compound Name: 7-amino-5-[2-(1-tert-butylpyrazol-3-yl)ethylamino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
• PubChem CID: 164570630
• Molecular Formula: C19H26N8
• Molecular Weight: 366.47 g/mol
• Exact Mass: 366.23
• IUPAC Name: 7-amino-5-[2-(1-tert-butylpyrazol-3-yl)ethylamino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
• SMILES: CCc1c(C)nn2c(N)c(C#N)c(NCCc3ccn(C(C)(C)C)n3)nc12
• InChI: InChI=1S/C19H26N8/c1-6-14-12(2)24-27-16(21)15(11-20)17(23-18(14)27)22-9-7-13-8-10-26(25-13)19(3,4)5/h8,10H,6-7,9,21H2,1-5H3,(H,22,23)
• InChIKey: HZTXYKLCYIRTLQ-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 109.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.47
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-[2-(1-tert-butylpyrazol-3-yl)ethylamino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?

The IUPAC name of 7-amino-5-[2-(1-tert-butylpyrazol-3-yl)ethylamino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 164570630) is 7-amino-5-[2-(1-tert-butylpyrazol-3-yl)ethylamino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

What is the SMILES notation for 7-amino-5-[2-(1-tert-butylpyrazol-3-yl)ethylamino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?

The canonical SMILES for 7-amino-5-[2-(1-tert-butylpyrazol-3-yl)ethylamino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is CCc1c(C)nn2c(N)c(C#N)c(NCCc3ccn(C(C)(C)C)n3)nc12.

What is the InChIKey of 7-amino-5-[2-(1-tert-butylpyrazol-3-yl)ethylamino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?

The InChIKey is HZTXYKLCYIRTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8/c1-6-14-12(2)24-27-16(21)15(11-20)17(23-18(14)27)22-9-7-13-8-10-26(25-13)19(3,4)5/h8,10H,6-7,9,21H2,1-5H3,(H,22,23).

What are the key properties of 7-amino-5-[2-(1-tert-butylpyrazol-3-yl)ethylamino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?

7-amino-5-[2-(1-tert-butylpyrazol-3-yl)ethylamino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 366.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-5-[2-(1-tert-butylpyrazol-3-yl)ethylamino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 164570630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).