[2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine

C17H32N4 — CID 105255154

IUPAC[2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine
SMILESCCC(C)n1ccc(CC(NN)C2CCCCCCC2)n1
InChIInChI=1S/C17H32N4/c1-3-14(2)21-12-11-16(20-21)13-17(19-18)15-9-7-5-4-6-8-10-15/h11-12,14-15,17,19H,3-10,13,18H2,1-2H3
InChIKeyIVIIWSRRFHBCEC-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.59
Rot. Bonds6

About [2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine

[2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine (PubChem CID 105255154) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is [2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine.

Molecular Properties

Compound Name[2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine
PubChem CID105255154
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name[2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine
SMILESCCC(C)n1ccc(CC(NN)C2CCCCCCC2)n1
InChIInChI=1S/C17H32N4/c1-3-14(2)21-12-11-16(20-21)13-17(19-18)15-9-7-5-4-6-8-10-15/h11-12,14-15,17,19H,3-10,13,18H2,1-2H3
InChIKeyIVIIWSRRFHBCEC-UHFFFAOYSA-N
XLogP3.59
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-cyclohexyl-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105201952
[2-(1-butan-2-ylpyrazol-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229429
[1-cyclohexyl-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105201792
[1-(1-butan-2-ylpyrazol-3-yl)-3-cyclopropylbutan-2-yl]hydrazine
CID 105312549
[1-(1-butan-2-ylpyrazol-3-yl)-4-cyclohexylbutan-2-yl]hydrazine
CID 105312574
(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine
CID 81385024
2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 65334393
[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249347
[1-(oxan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105230091
[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259953
[1-(6-bicyclo[3.1.0]hexanyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105313440
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine
CID 64801820

Frequently Asked Questions

What is the IUPAC name of [2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine?
The IUPAC name of [2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine (CID 105255154) is [2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine.
What is the SMILES notation for [2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine?
The canonical SMILES for [2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine is CCC(C)n1ccc(CC(NN)C2CCCCCCC2)n1.
What is the InChIKey of [2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine?
The InChIKey is IVIIWSRRFHBCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-3-14(2)21-12-11-16(20-21)13-17(19-18)15-9-7-5-4-6-8-10-15/h11-12,14-15,17,19H,3-10,13,18H2,1-2H3.
What are the key properties of [2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine?
[2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine has a molecular weight of 292.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine is sourced from PubChem (CID 105255154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).