methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate

C10H16N2O3 — CID 116800049

IUPACmethyl 4-(1-ethylpyrazol-4-yl)oxybutanoate
SMILESCCn1cc(OCCCC(=O)OC)cn1
InChIInChI=1S/C10H16N2O3/c1-3-12-8-9(7-11-12)15-6-4-5-10(13)14-2/h7-8H,3-6H2,1-2H3
InChIKeyLTHQKKAAINBYJR-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.24
Rot. Bonds6

About methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate

methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate (PubChem CID 116800049) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate.

Molecular Properties

Compound Namemethyl 4-(1-ethylpyrazol-4-yl)oxybutanoate
PubChem CID116800049
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl 4-(1-ethylpyrazol-4-yl)oxybutanoate
SMILESCCn1cc(OCCCC(=O)OC)cn1
InChIInChI=1S/C10H16N2O3/c1-3-12-8-9(7-11-12)15-6-4-5-10(13)14-2/h7-8H,3-6H2,1-2H3
InChIKeyLTHQKKAAINBYJR-UHFFFAOYSA-N
XLogP1.24
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate 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

methyl 2-(1-ethylpyrazol-4-yl)oxyacetate
CID 116800028
1-ethyl-4-hexoxypyrazole
CID 116804751
1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole
CID 116804432
4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
CID 116800659
1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole
CID 103184424
1-ethyl-4-pent-4-enoxypyrazole
CID 116804504
4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol
CID 116802475
2-(1-ethylpyrazol-4-yl)oxy-N-propylacetamide
CID 116804713
5-(1-ethylpyrazol-4-yl)oxy-N-propan-2-ylpentan-1-amine
CID 116803192
N-tert-butyl-2-(1-ethylpyrazol-4-yl)oxyacetamide
CID 116804669
2-[2-(1-ethylpyrazol-4-yl)oxyethoxy]benzoic acid
CID 116800060
2-(1-ethylpyrazol-4-yl)oxy-N-pentan-3-ylacetamide
CID 116804587

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate?
The IUPAC name of methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate (CID 116800049) is methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate.
What is the SMILES notation for methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate?
The canonical SMILES for methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate is CCn1cc(OCCCC(=O)OC)cn1.
What is the InChIKey of methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate?
The InChIKey is LTHQKKAAINBYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-12-8-9(7-11-12)15-6-4-5-10(13)14-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate?
methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate has a molecular weight of 212.25 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate is sourced from PubChem (CID 116800049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).