N-benzyl-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

C18H24N4O — CID 56825247

IUPACN-benzyl-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)CN1CCCC1c1cnn(C)c1
InChIInChI=1S/C18H24N4O/c1-20(12-15-7-4-3-5-8-15)18(23)14-22-10-6-9-17(22)16-11-19-21(2)13-16/h3-5,7-8,11,13,17H,6,9-10,12,14H2,1-2H3
InChIKeyUPYRKSBUGXESOP-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.22
Rot. Bonds5

About N-benzyl-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

N-benzyl-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (PubChem CID 56825247) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
PubChem CID56825247
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-benzyl-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)CN1CCCC1c1cnn(C)c1
InChIInChI=1S/C18H24N4O/c1-20(12-15-7-4-3-5-8-15)18(23)14-22-10-6-9-17(22)16-11-19-21(2)13-16/h3-5,7-8,11,13,17H,6,9-10,12,14H2,1-2H3
InChIKeyUPYRKSBUGXESOP-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 N-benzyl-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (CID 56825247) is N-benzyl-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is CN(Cc1ccccc1)C(=O)CN1CCCC1c1cnn(C)c1.
What is the InChIKey of N-benzyl-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is UPYRKSBUGXESOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-20(12-15-7-4-3-5-8-15)18(23)14-22-10-6-9-17(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 N-benzyl-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
N-benzyl-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide 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 N-benzyl-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 56825247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).