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

C14H28N4O — CID 105271794

IUPAC[1-(1-butan-2-ylpyrazol-3-yl)-3-methoxyhexan-2-yl]hydrazine
SMILESCCCC(OC)C(Cc1ccn(C(C)CC)n1)NN
InChIInChI=1S/C14H28N4O/c1-5-7-14(19-4)13(16-15)10-12-8-9-18(17-12)11(3)6-2/h8-9,11,13-14,16H,5-7,10,15H2,1-4H3
InChIKeyNXFUOQHOPXZCBQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.04
Rot. Bonds9

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

[1-(1-butan-2-ylpyrazol-3-yl)-3-methoxyhexan-2-yl]hydrazine (PubChem CID 105271794) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is [1-(1-butan-2-ylpyrazol-3-yl)-3-methoxyhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1-butan-2-ylpyrazol-3-yl)-3-methoxyhexan-2-yl]hydrazine
PubChem CID105271794
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name[1-(1-butan-2-ylpyrazol-3-yl)-3-methoxyhexan-2-yl]hydrazine
SMILESCCCC(OC)C(Cc1ccn(C(C)CC)n1)NN
InChIInChI=1S/C14H28N4O/c1-5-7-14(19-4)13(16-15)10-12-8-9-18(17-12)11(3)6-2/h8-9,11,13-14,16H,5-7,10,15H2,1-4H3
InChIKeyNXFUOQHOPXZCBQ-UHFFFAOYSA-N
XLogP2.04
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)hexan-2-yl]hydrazine
CID 105271606
1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719573
[1-(1-butan-2-ylpyrazol-3-yl)-3-methylheptan-2-yl]hydrazine
CID 114247274
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine
CID 116715887
1-(1-butan-2-ylpyrazol-3-yl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718183
[3-methoxy-1-(1-methylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105270657
[1-(1-butan-2-ylpyrazol-3-yl)-3-cyclopropylbutan-2-yl]hydrazine
CID 105312549
1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine
CID 104989878
1-(1-butan-2-ylpyrazol-3-yl)-3-ethyl-N-methylheptan-2-amine
CID 104989714
[3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105271202
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795
[1-(1-butan-2-ylpyrazol-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105249025

Frequently Asked Questions

What is the IUPAC name of [1-(1-butan-2-ylpyrazol-3-yl)-3-methoxyhexan-2-yl]hydrazine?
The IUPAC name of [1-(1-butan-2-ylpyrazol-3-yl)-3-methoxyhexan-2-yl]hydrazine (CID 105271794) is [1-(1-butan-2-ylpyrazol-3-yl)-3-methoxyhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(1-butan-2-ylpyrazol-3-yl)-3-methoxyhexan-2-yl]hydrazine?
The canonical SMILES for [1-(1-butan-2-ylpyrazol-3-yl)-3-methoxyhexan-2-yl]hydrazine is CCCC(OC)C(Cc1ccn(C(C)CC)n1)NN.
What is the InChIKey of [1-(1-butan-2-ylpyrazol-3-yl)-3-methoxyhexan-2-yl]hydrazine?
The InChIKey is NXFUOQHOPXZCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-5-7-14(19-4)13(16-15)10-12-8-9-18(17-12)11(3)6-2/h8-9,11,13-14,16H,5-7,10,15H2,1-4H3.
What are the key properties of [1-(1-butan-2-ylpyrazol-3-yl)-3-methoxyhexan-2-yl]hydrazine?
[1-(1-butan-2-ylpyrazol-3-yl)-3-methoxyhexan-2-yl]hydrazine has a molecular weight of 268.40 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-butan-2-ylpyrazol-3-yl)-3-methoxyhexan-2-yl]hydrazine is sourced from PubChem (CID 105271794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).