N-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide

C11H20N4O — CID 56828866

IUPACN-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide
SMILESCC(C)CNC(=O)CNCCn1cccn1
InChIInChI=1S/C11H20N4O/c1-10(2)8-13-11(16)9-12-5-7-15-6-3-4-14-15/h3-4,6,10,12H,5,7-9H2,1-2H3,(H,13,16)
InChIKeyLHKIJVVWUKOSRS-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.24
Rot. Bonds7

About N-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide

N-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide (PubChem CID 56828866) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide
PubChem CID56828866
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide
SMILESCC(C)CNC(=O)CNCCn1cccn1
InChIInChI=1S/C11H20N4O/c1-10(2)8-13-11(16)9-12-5-7-15-6-3-4-14-15/h3-4,6,10,12H,5,7-9H2,1-2H3,(H,13,16)
InChIKeyLHKIJVVWUKOSRS-UHFFFAOYSA-N
XLogP0.24
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61463069
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
N-ethyl-2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]acetamide
CID 60910442
2-(2-methoxyethylamino)-N-(3-pyrazol-1-ylpropyl)acetamide;hydrochloride
CID 119709927
N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide
CID 54951795
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
2-bromo-N-(2-pyrazol-1-ylethyl)butanamide
CID 62855459
(3S)-5-methyl-3-[(3-pyrazol-1-ylpropanoylamino)methyl]hexanoic acid
CID 65493688
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide
CID 61460950
2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide
CID 43389745
3-(2-pyrazol-1-ylethylamino)propanamide
CID 61463114
N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide
CID 92707865

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide (CID 56828866) is N-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide is CC(C)CNC(=O)CNCCn1cccn1.
What is the InChIKey of N-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide?
The InChIKey is LHKIJVVWUKOSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-10(2)8-13-11(16)9-12-5-7-15-6-3-4-14-15/h3-4,6,10,12H,5,7-9H2,1-2H3,(H,13,16).
What are the key properties of N-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide?
N-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide has a molecular weight of 224.31 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(2-pyrazol-1-ylethylamino)acetamide is sourced from PubChem (CID 56828866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).