[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine

C15H20BrFN4 — CID 105204804

IUPAC[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine
SMILESCCc1nn(C)c(CC(Cc2cccc(F)c2)NN)c1Br
InChIInChI=1S/C15H20BrFN4/c1-3-13-15(16)14(21(2)20-13)9-12(19-18)8-10-5-4-6-11(17)7-10/h4-7,12,19H,3,8-9,18H2,1-2H3
InChIKeyJGWHATBVZRZERK-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.50
Rot. Bonds6

About [1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine

[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine (PubChem CID 105204804) has the molecular formula C15H20BrFN4 and a molecular weight of 355.26 g/mol. Its IUPAC name is [1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine
PubChem CID105204804
Molecular FormulaC15H20BrFN4
Molecular Weight355.26 g/mol
Exact Mass354.09
IUPAC Name[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine
SMILESCCc1nn(C)c(CC(Cc2cccc(F)c2)NN)c1Br
InChIInChI=1S/C15H20BrFN4/c1-3-13-15(16)14(21(2)20-13)9-12(19-18)8-10-5-4-6-11(17)7-10/h4-7,12,19H,3,8-9,18H2,1-2H3
InChIKeyJGWHATBVZRZERK-UHFFFAOYSA-N
XLogP2.50
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.50
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-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-2-ylbutan-2-yl]hydrazine
CID 105314929
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833226
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 105198272
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 105314861
[1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105204779
[1-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine
CID 105204664
[1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105204839
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine
CID 107979192
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 104994625
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194397
[1-(3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105204868
[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-yl]hydrazine
CID 105199615

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine (CID 105204804) is [1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine is CCc1nn(C)c(CC(Cc2cccc(F)c2)NN)c1Br.
What is the InChIKey of [1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine?
The InChIKey is JGWHATBVZRZERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN4/c1-3-13-15(16)14(21(2)20-13)9-12(19-18)8-10-5-4-6-11(17)7-10/h4-7,12,19H,3,8-9,18H2,1-2H3.
What are the key properties of [1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine?
[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine has a molecular weight of 355.26 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105204804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).