N-ethyl-6-(2-hydroxyethyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H24N6O2 — CID 50964140

About N-ethyl-6-(2-hydroxyethyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-ethyl-6-(2-hydroxyethyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 50964140) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-ethyl-6-(2-hydroxyethyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-6-(2-hydroxyethyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 50964140
• Molecular Formula: C21H24N6O2
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.20
• IUPAC Name: N-ethyl-6-(2-hydroxyethyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)c1cnn2cc(CCO)cnc12
• InChI: InChI=1S/C21H24N6O2/c1-3-26(8-6-19-24-17-5-4-14(2)10-18(17)25-19)21(29)16-12-23-27-13-15(7-9-28)11-22-20(16)27/h4-5,10-13,28H,3,6-9H2,1-2H3,(H,24,25)
• InChIKey: UZOXJUBFGWWFIN-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 99.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-hydroxyethyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-ethyl-6-(2-hydroxyethyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 50964140) is N-ethyl-6-(2-hydroxyethyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-ethyl-6-(2-hydroxyethyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-ethyl-6-(2-hydroxyethyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)c1cnn2cc(CCO)cnc12.

What is the InChIKey of N-ethyl-6-(2-hydroxyethyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is UZOXJUBFGWWFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-3-26(8-6-19-24-17-5-4-14(2)10-18(17)25-19)21(29)16-12-23-27-13-15(7-9-28)11-22-20(16)27/h4-5,10-13,28H,3,6-9H2,1-2H3,(H,24,25).

What are the key properties of N-ethyl-6-(2-hydroxyethyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-ethyl-6-(2-hydroxyethyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-6-(2-hydroxyethyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 50964140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).