[2-ethoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine

C13H26N4O — CID 105272379

IUPAC[2-ethoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine
SMILESCCCn1cc(C(NN)C(OCC)C(C)C)cn1
InChIInChI=1S/C13H26N4O/c1-5-7-17-9-11(8-15-17)12(16-14)13(10(3)4)18-6-2/h8-10,12-13,16H,5-7,14H2,1-4H3
InChIKeyIWUWQIOZWWVWAU-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.86
Rot. Bonds8

About [2-ethoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine

[2-ethoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine (PubChem CID 105272379) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is [2-ethoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine.

Molecular Properties

Compound Name[2-ethoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine
PubChem CID105272379
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name[2-ethoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine
SMILESCCCn1cc(C(NN)C(OCC)C(C)C)cn1
InChIInChI=1S/C13H26N4O/c1-5-7-17-9-11(8-15-17)12(16-14)13(10(3)4)18-6-2/h8-10,12-13,16H,5-7,14H2,1-4H3
InChIKeyIWUWQIOZWWVWAU-UHFFFAOYSA-N
XLogP1.86
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.86
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

[2-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine
CID 105272039
[2-methyl-1-(1-propylpyrazol-4-yl)pentyl]hydrazine
CID 105288564
2-methoxy-3-methyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 116720667
N-[2,2-diethoxy-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 79496393
2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 116726066
[2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutyl]hydrazine
CID 105273722
[2,2-dimethyl-1-(1-propylpyrazol-4-yl)propyl]hydrazine
CID 105203000
[3-ethoxy-1-(1-propylpyrazol-4-yl)propyl]hydrazine
CID 105288600
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
4-butan-2-yl-1-propylpyrazole
CID 130194925
[(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208089
2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 103572279

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine?
The IUPAC name of [2-ethoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine (CID 105272379) is [2-ethoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine.
What is the SMILES notation for [2-ethoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine?
The canonical SMILES for [2-ethoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine is CCCn1cc(C(NN)C(OCC)C(C)C)cn1.
What is the InChIKey of [2-ethoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine?
The InChIKey is IWUWQIOZWWVWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-5-7-17-9-11(8-15-17)12(16-14)13(10(3)4)18-6-2/h8-10,12-13,16H,5-7,14H2,1-4H3.
What are the key properties of [2-ethoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine?
[2-ethoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine has a molecular weight of 254.38 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine is sourced from PubChem (CID 105272379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).