1-ethyl-4-pent-4-enoxypyrazole

C10H16N2O — CID 116804504

IUPAC1-ethyl-4-pent-4-enoxypyrazole
SMILESC=CCCCOc1cnn(CC)c1
InChIInChI=1S/C10H16N2O/c1-3-5-6-7-13-10-8-11-12(4-2)9-10/h3,8-9H,1,4-7H2,2H3
InChIKeyAICYZPWHSYWOJO-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.25
Rot. Bonds6

About 1-ethyl-4-pent-4-enoxypyrazole

1-ethyl-4-pent-4-enoxypyrazole (PubChem CID 116804504) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-ethyl-4-pent-4-enoxypyrazole.

Molecular Properties

Compound Name1-ethyl-4-pent-4-enoxypyrazole
PubChem CID116804504
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-ethyl-4-pent-4-enoxypyrazole
SMILESC=CCCCOc1cnn(CC)c1
InChIInChI=1S/C10H16N2O/c1-3-5-6-7-13-10-8-11-12(4-2)9-10/h3,8-9H,1,4-7H2,2H3
InChIKeyAICYZPWHSYWOJO-UHFFFAOYSA-N
XLogP2.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-hexoxypyrazole
CID 116804751
4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
CID 116800659
1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole
CID 116804432
1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole
CID 103184424
4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol
CID 116802475
methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate
CID 116800049
1-ethyl-4-[2-(2-methylimidazol-1-yl)ethoxy]pyrazole
CID 116804692
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
ethyl (E)-4-(1-ethylpyrazol-4-yl)oxybut-2-enoate
CID 116800100
N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803738
4-propoxy-1-propylpyrazole
CID 116805185

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-pent-4-enoxypyrazole?
The IUPAC name of 1-ethyl-4-pent-4-enoxypyrazole (CID 116804504) is 1-ethyl-4-pent-4-enoxypyrazole.
What is the SMILES notation for 1-ethyl-4-pent-4-enoxypyrazole?
The canonical SMILES for 1-ethyl-4-pent-4-enoxypyrazole is C=CCCCOc1cnn(CC)c1.
What is the InChIKey of 1-ethyl-4-pent-4-enoxypyrazole?
The InChIKey is AICYZPWHSYWOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-5-6-7-13-10-8-11-12(4-2)9-10/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 1-ethyl-4-pent-4-enoxypyrazole?
1-ethyl-4-pent-4-enoxypyrazole has a molecular weight of 180.25 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-pent-4-enoxypyrazole is sourced from PubChem (CID 116804504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).