N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetamide

C15H20N4O — CID 104694418

IUPACN-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNCCc1ccnn1C
InChIInChI=1S/C15H20N4O/c1-12(20)18-15-6-4-3-5-13(15)11-16-9-7-14-8-10-17-19(14)2/h3-6,8,10,16H,7,9,11H2,1-2H3,(H,18,20)
InChIKeyDRSBJKQMAJVDQP-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.71
Rot. Bonds6

About N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetamide

N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetamide (PubChem CID 104694418) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetamide
PubChem CID104694418
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNCCc1ccnn1C
InChIInChI=1S/C15H20N4O/c1-12(20)18-15-6-4-3-5-13(15)11-16-9-7-14-8-10-17-19(14)2/h3-6,8,10,16H,7,9,11H2,1-2H3,(H,18,20)
InChIKeyDRSBJKQMAJVDQP-UHFFFAOYSA-N
XLogP1.71
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetate
CID 103005690
N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 103005135
N-[2-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenyl]acetamide
CID 80681991
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694434
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide
CID 103006482
2-(2-methylpyrazol-3-yl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 104694562
N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide
CID 103845316
N-[2-[(2-thiophen-3-ylethylamino)methyl]phenyl]acetamide
CID 66417096
5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol
CID 104694486
methyl 3-bromo-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzoate
CID 103006355
N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide
CID 66385636
2-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
CID 103001687

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetamide (CID 104694418) is N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNCCc1ccnn1C.
What is the InChIKey of N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetamide?
The InChIKey is DRSBJKQMAJVDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12(20)18-15-6-4-3-5-13(15)11-16-9-7-14-8-10-17-19(14)2/h3-6,8,10,16H,7,9,11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetamide?
N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 104694418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).