3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine

C11H21N3O2 — CID 107462838

IUPAC3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NCCOCCOC
InChIInChI=1S/C11H21N3O2/c1-4-10-11(9-14(2)13-10)12-5-6-16-8-7-15-3/h9,12H,4-8H2,1-3H3
InChIKeyNQWKKBKOJCJOTQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.06
Rot. Bonds8

About 3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine

3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine (PubChem CID 107462838) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine
PubChem CID107462838
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NCCOCCOC
InChIInChI=1S/C11H21N3O2/c1-4-10-11(9-14(2)13-10)12-5-6-16-8-7-15-3/h9,12H,4-8H2,1-3H3
InChIKeyNQWKKBKOJCJOTQ-UHFFFAOYSA-N
XLogP1.06
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.06
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

3-ethyl-1-methyl-N-[2-(3-methylbutoxy)ethyl]pyrazol-4-amine
CID 107462730
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 107462966
N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine
CID 103179574
3-ethyl-1-methyl-N-pentylpyrazol-4-amine
CID 107462468
3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine
CID 103078331
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol
CID 107462832
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
3-ethyl-1-methyl-N-(3-phenoxypropyl)pyrazol-4-amine
CID 107462816
1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol
CID 107462679
N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine
CID 79778277
5-[(3-ethyl-1-methylpyrazol-4-yl)amino]pentanenitrile
CID 107462882
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylacetamide
CID 107462767

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine?
The IUPAC name of 3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine (CID 107462838) is 3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine?
The canonical SMILES for 3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine is CCc1nn(C)cc1NCCOCCOC.
What is the InChIKey of 3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine?
The InChIKey is NQWKKBKOJCJOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-10-11(9-14(2)13-10)12-5-6-16-8-7-15-3/h9,12H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine?
3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine has a molecular weight of 227.31 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 107462838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).