N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine

C9H17N3O2 — CID 79778277

IUPACN-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine
SMILESCOCCOCCNc1ccn(C)n1
InChIInChI=1S/C9H17N3O2/c1-12-5-3-9(11-12)10-4-6-14-8-7-13-2/h3,5H,4,6-8H2,1-2H3,(H,10,11)
InChIKeyYYXWZKULYBVGTE-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.50
Rot. Bonds7

About N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine

N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine (PubChem CID 79778277) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine
PubChem CID79778277
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine
SMILESCOCCOCCNc1ccn(C)n1
InChIInChI=1S/C9H17N3O2/c1-12-5-3-9(11-12)10-4-6-14-8-7-13-2/h3,5H,4,6-8H2,1-2H3,(H,10,11)
InChIKeyYYXWZKULYBVGTE-UHFFFAOYSA-N
XLogP0.50
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-(2-phenylmethoxyethyl)pyrazol-3-amine
CID 130536838
1-methyl-N-(2-propan-2-yloxyethyl)pyrazol-3-amine
CID 79779073
1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106990156
2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 23443606
methyl 4-[(1-methylpyrazol-3-yl)amino]butanoate
CID 79778979
N-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine
CID 62784368
3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine
CID 103078331
6-[2-(2-methoxyethoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282248
2-methyl-4-[(1-methylpyrazol-3-yl)amino]butan-2-ol
CID 79779568
N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine
CID 62133824
N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrazol-3-amine
CID 115711122
3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine
CID 107462838

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine (CID 79778277) is N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine is COCCOCCNc1ccn(C)n1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine?
The InChIKey is YYXWZKULYBVGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-12-5-3-9(11-12)10-4-6-14-8-7-13-2/h3,5H,4,6-8H2,1-2H3,(H,10,11).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine?
N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine has a molecular weight of 199.25 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 79778277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).