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

C18H24N6O2 — CID 125009193

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

N-[[6-[(2R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide (PubChem CID 125009193) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[[6-[(2R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[6-[(2R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
• PubChem CID: 125009193
• Molecular Formula: C18H24N6O2
• Molecular Weight: 356.43 g/mol
• Exact Mass: 356.20
• IUPAC Name: N-[[6-[(2R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
• SMILES: CC(=O)NCc1cncc([C@H]2CCCN2C(=O)CCn2ccc(C)n2)n1
• InChI: InChI=1S/C18H24N6O2/c1-13-5-8-23(22-13)9-6-18(26)24-7-3-4-17(24)16-12-19-10-15(21-16)11-20-14(2)25/h5,8,10,12,17H,3-4,6-7,9,11H2,1-2H3,(H,20,25)/t17-/m1/s1
• InChIKey: VANYWZMTLSPGNM-QGZVFWFLSA-N
• XLogP: 1.37
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.43
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[[6-[(2R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide (CID 125009193) is N-[[6-[(2R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide.

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

The canonical SMILES for N-[[6-[(2R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide is CC(=O)NCc1cncc([C@H]2CCCN2C(=O)CCn2ccc(C)n2)n1.

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

The InChIKey is VANYWZMTLSPGNM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13-5-8-23(22-13)9-6-18(26)24-7-3-4-17(24)16-12-19-10-15(21-16)11-20-14(2)25/h5,8,10,12,17H,3-4,6-7,9,11H2,1-2H3,(H,20,25)/t17-/m1/s1.

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

N-[[6-[(2R)-1-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 1.37, 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-[3-(3-methylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 125009193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).