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

C9H16N4O2 — CID 106236062

IUPAC2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide
SMILESCc1[nH]ncc1CNCCOCC(N)=O
InChIInChI=1S/C9H16N4O2/c1-7-8(5-12-13-7)4-11-2-3-15-6-9(10)14/h5,11H,2-4,6H2,1H3,(H2,10,14)(H,12,13)
InChIKeyDRURERRMIKZGOQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.69
Rot. Bonds7

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

2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide (PubChem CID 106236062) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide
PubChem CID106236062
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide
SMILESCc1[nH]ncc1CNCCOCC(N)=O
InChIInChI=1S/C9H16N4O2/c1-7-8(5-12-13-7)4-11-2-3-15-6-9(10)14/h5,11H,2-4,6H2,1H3,(H2,10,14)(H,12,13)
InChIKeyDRURERRMIKZGOQ-UHFFFAOYSA-N
XLogP-0.69
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate
CID 83210014
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]ethoxy]acetic acid
CID 79463639
2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide
CID 106235178
N,N-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide
CID 60925704
2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide
CID 106235813
2-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235678
N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine
CID 61004281
2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide
CID 106235049
4-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 106238468
2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide
CID 114161954
3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43663684
tert-butyl N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245687

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide (CID 106236062) is 2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide is Cc1[nH]ncc1CNCCOCC(N)=O.
What is the InChIKey of 2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide?
The InChIKey is DRURERRMIKZGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-7-8(5-12-13-7)4-11-2-3-15-6-9(10)14/h5,11H,2-4,6H2,1H3,(H2,10,14)(H,12,13).
What are the key properties of 2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide?
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide has a molecular weight of 212.25 g/mol, XLogP of -0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106236062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).