N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]acetamide

C9H16N4O — CID 43663664

IUPACN-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cn[nH]c1C
InChIInChI=1S/C9H16N4O/c1-7-9(6-12-13-7)5-10-3-4-11-8(2)14/h6,10H,3-5H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyJZOQJESRIYXNEG-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.06
Rot. Bonds5

About N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]acetamide

N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]acetamide (PubChem CID 43663664) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]acetamide
PubChem CID43663664
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cn[nH]c1C
InChIInChI=1S/C9H16N4O/c1-7-9(6-12-13-7)5-10-3-4-11-8(2)14/h6,10H,3-5H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyJZOQJESRIYXNEG-UHFFFAOYSA-N
XLogP-0.06
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]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-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]acetamide (CID 43663664) is N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]acetamide is CC(=O)NCCNCc1cn[nH]c1C.
What is the InChIKey of N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]acetamide?
The InChIKey is JZOQJESRIYXNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-9(6-12-13-7)5-10-3-4-11-8(2)14/h6,10H,3-5H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]acetamide?
N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]acetamide has a molecular weight of 196.25 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]acetamide is sourced from PubChem (CID 43663664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).