[1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine

C13H17BrN4 — CID 105329446

IUPAC[1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCc1cc(C(Cc2ccn(C)n2)NN)ccc1Br
InChIInChI=1S/C13H17BrN4/c1-9-7-10(3-4-12(9)14)13(16-15)8-11-5-6-18(2)17-11/h3-7,13,16H,8,15H2,1-2H3
InChIKeyNRSQPBZDBCVFFG-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.24
Rot. Bonds4

About [1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine

[1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 105329446) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is [1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
PubChem CID105329446
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name[1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCc1cc(C(Cc2ccn(C)n2)NN)ccc1Br
InChIInChI=1S/C13H17BrN4/c1-9-7-10(3-4-12(9)14)13(16-15)8-11-5-6-18(2)17-11/h3-7,13,16H,8,15H2,1-2H3
InChIKeyNRSQPBZDBCVFFG-UHFFFAOYSA-N
XLogP2.24
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.24
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-chloro-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329500
[1-(2,6-dimethyl-4-pyridinyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 107504950
[1-(2-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329498
[2-(1-methylpyrazol-3-yl)-1-phenylethyl]hydrazine
CID 105199243
1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025701
[1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105208608
[1-(4-bromo-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316087
[2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethyl]hydrazine
CID 102924279
[2-(1-methylpyrazol-3-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 105279805
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 114330797
[1-(4-bromo-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312758
1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828801

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine (CID 105329446) is [1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine is Cc1cc(C(Cc2ccn(C)n2)NN)ccc1Br.
What is the InChIKey of [1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is NRSQPBZDBCVFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-9-7-10(3-4-12(9)14)13(16-15)8-11-5-6-18(2)17-11/h3-7,13,16H,8,15H2,1-2H3.
What are the key properties of [1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine?
[1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 309.21 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105329446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).