1-ethyl-4-hexoxypyrazole

C11H20N2O — CID 116804751

IUPAC1-ethyl-4-hexoxypyrazole
SMILESCCCCCCOc1cnn(CC)c1
InChIInChI=1S/C11H20N2O/c1-3-5-6-7-8-14-11-9-12-13(4-2)10-11/h9-10H,3-8H2,1-2H3
InChIKeyUTDUTQHVCDRHHI-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.86
Rot. Bonds7

About 1-ethyl-4-hexoxypyrazole

1-ethyl-4-hexoxypyrazole (PubChem CID 116804751) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-ethyl-4-hexoxypyrazole.

Molecular Properties

Compound Name1-ethyl-4-hexoxypyrazole
PubChem CID116804751
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-ethyl-4-hexoxypyrazole
SMILESCCCCCCOc1cnn(CC)c1
InChIInChI=1S/C11H20N2O/c1-3-5-6-7-8-14-11-9-12-13(4-2)10-11/h9-10H,3-8H2,1-2H3
InChIKeyUTDUTQHVCDRHHI-UHFFFAOYSA-N
XLogP2.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
CID 116800659
1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole
CID 116804432
1-ethyl-4-pent-4-enoxypyrazole
CID 116804504
6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
CID 107705463
2-(1-pentylpyrazol-4-yl)oxyethanamine
CID 164576517
1-ethyl-4-[2-(3-methoxypropoxy)ethoxy]pyrazole
CID 103184424
methyl 4-(1-ethylpyrazol-4-yl)oxybutanoate
CID 116800049
4-propoxy-1-propylpyrazole
CID 116805185
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
1-ethyl-N-[(4-pentoxyphenyl)methyl]pyrazol-4-amine
CID 43543348
N-[3-(1-ethylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803738
N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine
CID 116803512

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hexoxypyrazole?
The IUPAC name of 1-ethyl-4-hexoxypyrazole (CID 116804751) is 1-ethyl-4-hexoxypyrazole.
What is the SMILES notation for 1-ethyl-4-hexoxypyrazole?
The canonical SMILES for 1-ethyl-4-hexoxypyrazole is CCCCCCOc1cnn(CC)c1.
What is the InChIKey of 1-ethyl-4-hexoxypyrazole?
The InChIKey is UTDUTQHVCDRHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-5-6-7-8-14-11-9-12-13(4-2)10-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-ethyl-4-hexoxypyrazole?
1-ethyl-4-hexoxypyrazole has a molecular weight of 196.29 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hexoxypyrazole is sourced from PubChem (CID 116804751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).