[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-6-fluorophenyl)ethyl]hydrazine

C14H17Br2FN4 — CID 105280339

IUPAC[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-6-fluorophenyl)ethyl]hydrazine
SMILESCCn1nc(C)c(Br)c1CC(NN)c1c(F)cccc1Br
InChIInChI=1S/C14H17Br2FN4/c1-3-21-12(14(16)8(2)20-21)7-11(19-18)13-9(15)5-4-6-10(13)17/h4-6,11,19H,3,7,18H2,1-2H3
InChIKeyVPCJINBTCQVGGG-UHFFFAOYSA-N
MW420.12 g/mol
LogP3.62
Rot. Bonds5

About [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-6-fluorophenyl)ethyl]hydrazine

[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-6-fluorophenyl)ethyl]hydrazine (PubChem CID 105280339) has the molecular formula C14H17Br2FN4 and a molecular weight of 420.12 g/mol. Its IUPAC name is [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-6-fluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-6-fluorophenyl)ethyl]hydrazine
PubChem CID105280339
Molecular FormulaC14H17Br2FN4
Molecular Weight420.12 g/mol
Exact Mass417.98
IUPAC Name[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-6-fluorophenyl)ethyl]hydrazine
SMILESCCn1nc(C)c(Br)c1CC(NN)c1c(F)cccc1Br
InChIInChI=1S/C14H17Br2FN4/c1-3-21-12(14(16)8(2)20-21)7-11(19-18)13-9(15)5-4-6-10(13)17/h4-6,11,19H,3,7,18H2,1-2H3
InChIKeyVPCJINBTCQVGGG-UHFFFAOYSA-N
XLogP3.62
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.12
LogP ≤ 53.62
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-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)-N-methylethanamine
CID 104998054
2-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-hydrazinylethyl]aniline
CID 105223757
1-(2-bromo-6-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanamine
CID 114886690
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105316685
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine
CID 105316719
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105190787
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine
CID 107979209
[1-(3-bromo-2-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine
CID 105317005
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105228327
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 79516829
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79434400
2,6-dibromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]aniline
CID 107598752

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-6-fluorophenyl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-6-fluorophenyl)ethyl]hydrazine (CID 105280339) is [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-6-fluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-6-fluorophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-6-fluorophenyl)ethyl]hydrazine is CCn1nc(C)c(Br)c1CC(NN)c1c(F)cccc1Br.
What is the InChIKey of [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-6-fluorophenyl)ethyl]hydrazine?
The InChIKey is VPCJINBTCQVGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2FN4/c1-3-21-12(14(16)8(2)20-21)7-11(19-18)13-9(15)5-4-6-10(13)17/h4-6,11,19H,3,7,18H2,1-2H3.
What are the key properties of [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-6-fluorophenyl)ethyl]hydrazine?
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-6-fluorophenyl)ethyl]hydrazine has a molecular weight of 420.12 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-6-fluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105280339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).