2-[benzyl(methyl)amino]-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

C18H24N4O — CID 56824907

IUPAC2-[benzyl(methyl)amino]-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCCC1c1cnn(C)c1)Cc1ccccc1
InChIInChI=1S/C18H24N4O/c1-20(12-15-7-4-3-5-8-15)14-18(23)22-10-6-9-17(22)16-11-19-21(2)13-16/h3-5,7-8,11,13,17H,6,9-10,12,14H2,1-2H3
InChIKeyZIJSPXVVJDVGHW-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.22
Rot. Bonds5

About 2-[benzyl(methyl)amino]-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

2-[benzyl(methyl)amino]-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (PubChem CID 56824907) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
PubChem CID56824907
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[benzyl(methyl)amino]-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCCC1c1cnn(C)c1)Cc1ccccc1
InChIInChI=1S/C18H24N4O/c1-20(12-15-7-4-3-5-8-15)14-18(23)22-10-6-9-17(22)16-11-19-21(2)13-16/h3-5,7-8,11,13,17H,6,9-10,12,14H2,1-2H3
InChIKeyZIJSPXVVJDVGHW-UHFFFAOYSA-N
XLogP2.22
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[benzyl(methyl)amino]-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (CID 56824907) is 2-[benzyl(methyl)amino]-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is CN(CC(=O)N1CCCC1c1cnn(C)c1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is ZIJSPXVVJDVGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-20(12-15-7-4-3-5-8-15)14-18(23)22-10-6-9-17(22)16-11-19-21(2)13-16/h3-5,7-8,11,13,17H,6,9-10,12,14H2,1-2H3.
What are the key properties of 2-[benzyl(methyl)amino]-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
2-[benzyl(methyl)amino]-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 312.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 56824907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).