N-[[6-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide

C18H26N6O — CID 125022837

About N-[[6-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide

N-[[6-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide (PubChem CID 125022837) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[[6-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[6-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
• PubChem CID: 125022837
• Molecular Formula: C18H26N6O
• Molecular Weight: 342.45 g/mol
• Exact Mass: 342.22
• IUPAC Name: N-[[6-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
• SMILES: CC(=O)NCc1cncc([C@H]2CCCN2Cc2ccnn2C(C)C)n1
• InChI: InChI=1S/C18H26N6O/c1-13(2)24-16(6-7-21-24)12-23-8-4-5-18(23)17-11-19-9-15(22-17)10-20-14(3)25/h6-7,9,11,13,18H,4-5,8,10,12H2,1-3H3,(H,20,25)/t18-/m1/s1
• InChIKey: YTJMDLOKILPPTA-GOSISDBHSA-N
• XLogP: 2.23
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.45
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?

The IUPAC name of N-[[6-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide (CID 125022837) is N-[[6-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide.

What is the SMILES notation for N-[[6-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?

The canonical SMILES for N-[[6-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide is CC(=O)NCc1cncc([C@H]2CCCN2Cc2ccnn2C(C)C)n1.

What is the InChIKey of N-[[6-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?

The InChIKey is YTJMDLOKILPPTA-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13(2)24-16(6-7-21-24)12-23-8-4-5-18(23)17-11-19-9-15(22-17)10-20-14(3)25/h6-7,9,11,13,18H,4-5,8,10,12H2,1-3H3,(H,20,25)/t18-/m1/s1.

What are the key properties of N-[[6-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide?

N-[[6-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide has a molecular weight of 342.45 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 125022837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).