[2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine

C16H23FN4 — CID 105204127

IUPAC[2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
SMILESCCC(C)n1ccc(CC(NN)c2ccc(F)c(C)c2)n1
InChIInChI=1S/C16H23FN4/c1-4-12(3)21-8-7-14(20-21)10-16(19-18)13-5-6-15(17)11(2)9-13/h5-9,12,16,19H,4,10,18H2,1-3H3
InChIKeyDBSFXYBITFYZFO-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.05
Rot. Bonds6

About [2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine

[2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine (PubChem CID 105204127) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is [2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
PubChem CID105204127
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name[2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
SMILESCCC(C)n1ccc(CC(NN)c2ccc(F)c(C)c2)n1
InChIInChI=1S/C16H23FN4/c1-4-12(3)21-8-7-14(20-21)10-16(19-18)13-5-6-15(17)11(2)9-13/h5-9,12,16,19H,4,10,18H2,1-3H3
InChIKeyDBSFXYBITFYZFO-UHFFFAOYSA-N
XLogP3.05
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.05
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-(5-bromo-2-methylphenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312551
[1-(5-bromothiophen-3-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312620
[1-(4-bromo-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312758
[1-(2-bromo-4-fluorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312566
[2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine
CID 105312611
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 64785505
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-fluorophenyl)-N-methylethanamine
CID 64785858
[1-(5-bromo-2-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312538
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115806312
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 64785243
1-(4-fluoro-3-methylphenyl)butylhydrazine
CID 105202039
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503581

Frequently Asked Questions

What is the IUPAC name of [2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine (CID 105204127) is [2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine is CCC(C)n1ccc(CC(NN)c2ccc(F)c(C)c2)n1.
What is the InChIKey of [2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine?
The InChIKey is DBSFXYBITFYZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c1-4-12(3)21-8-7-14(20-21)10-16(19-18)13-5-6-15(17)11(2)9-13/h5-9,12,16,19H,4,10,18H2,1-3H3.
What are the key properties of [2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine?
[2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine has a molecular weight of 290.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105204127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).