[1-(2,4-dichlorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine

C12H14Cl2N4 — CID 105329457

IUPAC[1-(2,4-dichlorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCn1ccc(CC(NN)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H14Cl2N4/c1-18-5-4-9(17-18)7-12(16-15)10-3-2-8(13)6-11(10)14/h2-6,12,16H,7,15H2,1H3
InChIKeyITGDQSCYCZPKRE-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.47
Rot. Bonds4

About [1-(2,4-dichlorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine

[1-(2,4-dichlorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 105329457) has the molecular formula C12H14Cl2N4 and a molecular weight of 285.18 g/mol. Its IUPAC name is [1-(2,4-dichlorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,4-dichlorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
PubChem CID105329457
Molecular FormulaC12H14Cl2N4
Molecular Weight285.18 g/mol
Exact Mass284.06
IUPAC Name[1-(2,4-dichlorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCn1ccc(CC(NN)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H14Cl2N4/c1-18-5-4-9(17-18)7-12(16-15)10-3-2-8(13)6-11(10)14/h2-6,12,16H,7,15H2,1H3
InChIKeyITGDQSCYCZPKRE-UHFFFAOYSA-N
XLogP2.47
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.47
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-(2-chloro-4-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105215355
[1-(5-chloro-2-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329657
[1-(2,4-dichlorophenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066602
[1-(2-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329498
[1-(4-chloro-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329500
1-(4-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877800
[1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 102805146
[1-(2-chloro-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105215278
[1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105208608
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 114886305
1,2-bis(2,4-dichlorophenyl)ethylhydrazine
CID 105295029
[2-(1-methylpyrazol-3-yl)-1-(4-methylthiophen-3-yl)ethyl]hydrazine
CID 105251767

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichlorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(2,4-dichlorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine (CID 105329457) is [1-(2,4-dichlorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2,4-dichlorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2,4-dichlorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine is Cn1ccc(CC(NN)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of [1-(2,4-dichlorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is ITGDQSCYCZPKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4/c1-18-5-4-9(17-18)7-12(16-15)10-3-2-8(13)6-11(10)14/h2-6,12,16H,7,15H2,1H3.
What are the key properties of [1-(2,4-dichlorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine?
[1-(2,4-dichlorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 285.18 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichlorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105329457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).