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

C15H21BrN4 — CID 105336192

IUPAC[1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine
SMILESCCC(c1ccccc1)C(NN)c1c(Br)cnn1CC
InChIInChI=1S/C15H21BrN4/c1-3-12(11-8-6-5-7-9-11)14(19-17)15-13(16)10-18-20(15)4-2/h5-10,12,14,19H,3-4,17H2,1-2H3
InChIKeyZHYIOFXKNPGMGH-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.36
Rot. Bonds6

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

[1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine (PubChem CID 105336192) has the molecular formula C15H21BrN4 and a molecular weight of 337.27 g/mol. Its IUPAC name is [1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine
PubChem CID105336192
Molecular FormulaC15H21BrN4
Molecular Weight337.27 g/mol
Exact Mass336.09
IUPAC Name[1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine
SMILESCCC(c1ccccc1)C(NN)c1c(Br)cnn1CC
InChIInChI=1S/C15H21BrN4/c1-3-12(11-8-6-5-7-9-11)14(19-17)15-13(16)10-18-20(15)4-2/h5-10,12,14,19H,3-4,17H2,1-2H3
InChIKeyZHYIOFXKNPGMGH-UHFFFAOYSA-N
XLogP3.36
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.36
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-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105336660
[1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105342210
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxybutyl]hydrazine
CID 105271124
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
CID 105054099
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutyl]hydrazine
CID 105272153
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethyl]hydrazine
CID 105279178
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 114662155
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
CID 105042151
2-[(4-bromo-1-ethylpyrazol-5-yl)-hydrazinylmethyl]aniline
CID 105223904
1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine
CID 114648404
[(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine
CID 105336163

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine?
The IUPAC name of [1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine (CID 105336192) is [1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine is CCC(c1ccccc1)C(NN)c1c(Br)cnn1CC.
What is the InChIKey of [1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine?
The InChIKey is ZHYIOFXKNPGMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4/c1-3-12(11-8-6-5-7-9-11)14(19-17)15-13(16)10-18-20(15)4-2/h5-10,12,14,19H,3-4,17H2,1-2H3.
What are the key properties of [1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine?
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine has a molecular weight of 337.27 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1-ethylpyrazol-5-yl)-2-phenylbutyl]hydrazine is sourced from PubChem (CID 105336192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).