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

C12H14ClFN4 — CID 103044165

IUPAC[2-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCn1nccc1C(Cc1ccc(F)c(Cl)c1)NN
InChIInChI=1S/C12H14ClFN4/c1-18-12(4-5-16-18)11(17-15)7-8-2-3-10(14)9(13)6-8/h2-6,11,17H,7,15H2,1H3
InChIKeyIWBDWNLRTHXYKB-UHFFFAOYSA-N
MW268.72 g/mol
LogP1.96
Rot. Bonds4

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

[2-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 103044165) has the molecular formula C12H14ClFN4 and a molecular weight of 268.72 g/mol. Its IUPAC name is [2-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
PubChem CID103044165
Molecular FormulaC12H14ClFN4
Molecular Weight268.72 g/mol
Exact Mass268.09
IUPAC Name[2-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCn1nccc1C(Cc1ccc(F)c(Cl)c1)NN
InChIInChI=1S/C12H14ClFN4/c1-18-12(4-5-16-18)11(17-15)7-8-2-3-10(14)9(13)6-8/h2-6,11,17H,7,15H2,1H3
InChIKeyIWBDWNLRTHXYKB-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

[2-(2,4-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105200066
[2-(3,5-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105212589
[2-(3-chloro-4-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]hydrazine
CID 106694830
[2-(3-chloro-4-fluorophenyl)-1-(3-methyl-4-pyridinyl)ethyl]hydrazine
CID 103044062
[2-(3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105205136
1-(2-methylpyrazol-3-yl)propylhydrazine
CID 105200909
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 113442257
[2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105315724
[1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenyl)ethyl]hydrazine
CID 103044137
2-(3,5-difluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63963304
2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 103043648
[1-(4-bromo-3-fluorophenyl)-2-(3-chloro-4-fluorophenyl)ethyl]hydrazine
CID 103044284

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine (CID 103044165) is [2-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine is Cn1nccc1C(Cc1ccc(F)c(Cl)c1)NN.
What is the InChIKey of [2-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is IWBDWNLRTHXYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN4/c1-18-12(4-5-16-18)11(17-15)7-8-2-3-10(14)9(13)6-8/h2-6,11,17H,7,15H2,1H3.
What are the key properties of [2-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine?
[2-(3-chloro-4-fluorophenyl)-1-(2-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 [2-(3-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 103044165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).