[1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine

C16H23BrN4 — CID 105336660

IUPAC[1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine
SMILESCCCn1ncc(Br)c1C(NN)C(CC)c1ccccc1
InChIInChI=1S/C16H23BrN4/c1-3-10-21-16(14(17)11-19-21)15(20-18)13(4-2)12-8-6-5-7-9-12/h5-9,11,13,15,20H,3-4,10,18H2,1-2H3
InChIKeyYMIVMNIOHFRIRW-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.75
Rot. Bonds7

About [1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine

[1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine (PubChem CID 105336660) has the molecular formula C16H23BrN4 and a molecular weight of 351.29 g/mol. Its IUPAC name is [1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine
PubChem CID105336660
Molecular FormulaC16H23BrN4
Molecular Weight351.29 g/mol
Exact Mass350.11
IUPAC Name[1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine
SMILESCCCn1ncc(Br)c1C(NN)C(CC)c1ccccc1
InChIInChI=1S/C16H23BrN4/c1-3-10-21-16(14(17)11-19-21)15(20-18)13(4-2)12-8-6-5-7-9-12/h5-9,11,13,15,20H,3-4,10,18H2,1-2H3
InChIKeyYMIVMNIOHFRIRW-UHFFFAOYSA-N
XLogP3.75
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.75
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-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105336192
[1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105342210
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethyl]hydrazine
CID 105279178
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methylpropyl]hydrazine
CID 105199703
[1-(4-bromo-1-propylpyrazol-5-yl)-2-propylpentyl]hydrazine
CID 105336590
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
CID 105054099
[(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine
CID 106694739
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
CID 105042151
1-(4-bromo-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651699
1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethanol
CID 114645968
1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine
CID 105048844
[1-(4-bromo-1-propylpyrazol-5-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105211988

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine?
The IUPAC name of [1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine (CID 105336660) is [1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine is CCCn1ncc(Br)c1C(NN)C(CC)c1ccccc1.
What is the InChIKey of [1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine?
The InChIKey is YMIVMNIOHFRIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4/c1-3-10-21-16(14(17)11-19-21)15(20-18)13(4-2)12-8-6-5-7-9-12/h5-9,11,13,15,20H,3-4,10,18H2,1-2H3.
What are the key properties of [1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine?
[1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine has a molecular weight of 351.29 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine is sourced from PubChem (CID 105336660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).