[1-(2-chloro-4-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine

C12H14ClFN4 — CID 105215355

IUPAC[1-(2-chloro-4-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCn1ccc(CC(NN)c2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H14ClFN4/c1-18-5-4-9(17-18)7-12(16-15)10-3-2-8(14)6-11(10)13/h2-6,12,16H,7,15H2,1H3
InChIKeySZRWOAFJMXIHPI-UHFFFAOYSA-N
MW268.72 g/mol
LogP1.96
Rot. Bonds4

About [1-(2-chloro-4-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine

[1-(2-chloro-4-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 105215355) has the molecular formula C12H14ClFN4 and a molecular weight of 268.72 g/mol. Its IUPAC name is [1-(2-chloro-4-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-4-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
PubChem CID105215355
Molecular FormulaC12H14ClFN4
Molecular Weight268.72 g/mol
Exact Mass268.09
IUPAC Name[1-(2-chloro-4-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCn1ccc(CC(NN)c2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H14ClFN4/c1-18-5-4-9(17-18)7-12(16-15)10-3-2-8(14)6-11(10)13/h2-6,12,16H,7,15H2,1H3
InChIKeySZRWOAFJMXIHPI-UHFFFAOYSA-N
XLogP1.96
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 51.96
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-(2,4-dichlorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329457
[1-(2-chloro-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105215278
[1-(2-chloro-4-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066044
[1-(5-chloro-2-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329657
[1-(2-chloro-4-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105215350
[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-(2-chloro-4-fluorophenyl)-N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771568
[1-(2-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105215317
[1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 102805146
[1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312714
[1-(2-bromophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105208608

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-4-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(2-chloro-4-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine (CID 105215355) is [1-(2-chloro-4-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-chloro-4-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2-chloro-4-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine is Cn1ccc(CC(NN)c2ccc(F)cc2Cl)n1.
What is the InChIKey of [1-(2-chloro-4-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is SZRWOAFJMXIHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN4/c1-18-5-4-9(17-18)7-12(16-15)10-3-2-8(14)6-11(10)13/h2-6,12,16H,7,15H2,1H3.
What are the key properties of [1-(2-chloro-4-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine?
[1-(2-chloro-4-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 268.72 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-4-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105215355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).