[1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine

C14H18ClFN4 — CID 105312731

IUPAC[1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
SMILESCC(C)n1ccc(CC(NN)c2cccc(F)c2Cl)n1
InChIInChI=1S/C14H18ClFN4/c1-9(2)20-7-6-10(19-20)8-13(18-17)11-4-3-5-12(16)14(11)15/h3-7,9,13,18H,8,17H2,1-2H3
InChIKeyHPHZBGPBCLPOKW-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.00
Rot. Bonds5

About [1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine

[1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 105312731) has the molecular formula C14H18ClFN4 and a molecular weight of 296.78 g/mol. Its IUPAC name is [1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
PubChem CID105312731
Molecular FormulaC14H18ClFN4
Molecular Weight296.78 g/mol
Exact Mass296.12
IUPAC Name[1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
SMILESCC(C)n1ccc(CC(NN)c2cccc(F)c2Cl)n1
InChIInChI=1S/C14H18ClFN4/c1-9(2)20-7-6-10(19-20)8-13(18-17)11-4-3-5-12(16)14(11)15/h3-7,9,13,18H,8,17H2,1-2H3
InChIKeyHPHZBGPBCLPOKW-UHFFFAOYSA-N
XLogP3.00
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.00
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-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312794
[1-(2-chloro-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105215278
[1-(3-fluoro-4-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105258519
[1-(5-chloro-2-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312734
[2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine
CID 105312611
[1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312714
[1-(2-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322944
1-(2,6-difluorophenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 79522561
[1-(2,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312747
[1-(4-bromo-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312758
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-3-fluorophenyl)ethyl]hydrazine
CID 105316835
[1-(5-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312710

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine (CID 105312731) is [1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine is CC(C)n1ccc(CC(NN)c2cccc(F)c2Cl)n1.
What is the InChIKey of [1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is HPHZBGPBCLPOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN4/c1-9(2)20-7-6-10(19-20)8-13(18-17)11-4-3-5-12(16)14(11)15/h3-7,9,13,18H,8,17H2,1-2H3.
What are the key properties of [1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine?
[1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 296.78 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105312731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).