N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide

C16H26N4O2 — CID 46613977

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2ccnn2C2CCCC2)CC(C)O1
InChIInChI=1S/C16H26N4O2/c1-12-9-19(10-13(2)22-12)11-16(21)18-15-7-8-17-20(15)14-5-3-4-6-14/h7-8,12-14H,3-6,9-11H2,1-2H3,(H,18,21)
InChIKeyXULFKVKRCILJIX-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.05
Rot. Bonds4

About N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide

N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide (PubChem CID 46613977) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
PubChem CID46613977
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2ccnn2C2CCCC2)CC(C)O1
InChIInChI=1S/C16H26N4O2/c1-12-9-19(10-13(2)22-12)11-16(21)18-15-7-8-17-20(15)14-5-3-4-6-14/h7-8,12-14H,3-6,9-11H2,1-2H3,(H,18,21)
InChIKeyXULFKVKRCILJIX-UHFFFAOYSA-N
XLogP2.05
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide (CID 46613977) is N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide is CC1CN(CC(=O)Nc2ccnn2C2CCCC2)CC(C)O1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The InChIKey is XULFKVKRCILJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-9-19(10-13(2)22-12)11-16(21)18-15-7-8-17-20(15)14-5-3-4-6-14/h7-8,12-14H,3-6,9-11H2,1-2H3,(H,18,21).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 46613977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).