N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide

C17H29N5O2 — CID 50968875

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
SMILESCCn1ncc(CN(C)C(=O)CC2C(=O)NCCN2C(C)C)c1C
InChIInChI=1S/C17H29N5O2/c1-6-22-13(4)14(10-19-22)11-20(5)16(23)9-15-17(24)18-7-8-21(15)12(2)3/h10,12,15H,6-9,11H2,1-5H3,(H,18,24)
InChIKeyJKRFDZQCJXEWIF-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.77
Rot. Bonds6

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide (PubChem CID 50968875) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
PubChem CID50968875
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
SMILESCCn1ncc(CN(C)C(=O)CC2C(=O)NCCN2C(C)C)c1C
InChIInChI=1S/C17H29N5O2/c1-6-22-13(4)14(10-19-22)11-20(5)16(23)9-15-17(24)18-7-8-21(15)12(2)3/h10,12,15H,6-9,11H2,1-5H3,(H,18,24)
InChIKeyJKRFDZQCJXEWIF-UHFFFAOYSA-N
XLogP0.77
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide (CID 50968875) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide is CCn1ncc(CN(C)C(=O)CC2C(=O)NCCN2C(C)C)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The InChIKey is JKRFDZQCJXEWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-6-22-13(4)14(10-19-22)11-20(5)16(23)9-15-17(24)18-7-8-21(15)12(2)3/h10,12,15H,6-9,11H2,1-5H3,(H,18,24).
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide has a molecular weight of 335.45 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide is sourced from PubChem (CID 50968875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).