1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole

C11H20N2O3 — CID 103184424

IUPAC1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole
SMILESCCn1cc(OCCOCCCOC)cn1
InChIInChI=1S/C11H20N2O3/c1-3-13-10-11(9-12-13)16-8-7-15-6-4-5-14-2/h9-10H,3-8H2,1-2H3
InChIKeyAMNARYMLHHNYPO-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.33
Rot. Bonds9

About 1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole

1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole (PubChem CID 103184424) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole
PubChem CID103184424
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole
SMILESCCn1cc(OCCOCCCOC)cn1
InChIInChI=1S/C11H20N2O3/c1-3-13-10-11(9-12-13)16-8-7-15-6-4-5-14-2/h9-10H,3-8H2,1-2H3
InChIKeyAMNARYMLHHNYPO-UHFFFAOYSA-N
XLogP1.33
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole 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

1-ethyl-4-hexoxypyrazole
CID 116804751
4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
CID 116800659
4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole
CID 103414014
1-ethyl-4-pent-4-enoxypyrazole
CID 116804504
1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole
CID 116804432
methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate
CID 116800049
4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol
CID 116802475
N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803738
5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine
CID 116803192
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
1-methyl-4-(2-propoxyethoxy)pyrazole
CID 106458442
N-(cyclopentylmethyl)-2-(1-ethylpyrazol-4-yl)oxyethanamine
CID 116803768

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole?
The IUPAC name of 1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole (CID 103184424) is 1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole.
What is the SMILES notation for 1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole?
The canonical SMILES for 1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole is CCn1cc(OCCOCCCOC)cn1.
What is the InChIKey of 1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole?
The InChIKey is AMNARYMLHHNYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-13-10-11(9-12-13)16-8-7-15-6-4-5-14-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole?
1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole has a molecular weight of 228.29 g/mol, XLogP of 1.33, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole is sourced from PubChem (CID 103184424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).