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

C14H17Br2ClN4 — CID 107948303

IUPAC[1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)c2cc(Cl)cc(Br)c2)c1Br
InChIInChI=1S/C14H17Br2ClN4/c1-3-11-14(16)13(21(2)20-11)7-12(19-18)8-4-9(15)6-10(17)5-8/h4-6,12,19H,3,7,18H2,1-2H3
InChIKeyFNBUZLVTOFOWGR-UHFFFAOYSA-N
MW436.58 g/mol
LogP3.91
Rot. Bonds5

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

[1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine (PubChem CID 107948303) has the molecular formula C14H17Br2ClN4 and a molecular weight of 436.58 g/mol. Its IUPAC name is [1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
PubChem CID107948303
Molecular FormulaC14H17Br2ClN4
Molecular Weight436.58 g/mol
Exact Mass433.95
IUPAC Name[1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)c2cc(Cl)cc(Br)c2)c1Br
InChIInChI=1S/C14H17Br2ClN4/c1-3-11-14(16)13(21(2)20-11)7-12(19-18)8-4-9(15)6-10(17)5-8/h4-6,12,19H,3,7,18H2,1-2H3
InChIKeyFNBUZLVTOFOWGR-UHFFFAOYSA-N
XLogP3.91
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.91
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-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine
CID 107979192
1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 107946095
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194397
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105314872
[1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 107948485
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)-N-methylethanamine
CID 107975990
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylimidazol-4-yl)ethyl]hydrazine
CID 105264709
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228761
[1-(3-bromo-5-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 107948316
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 105314861
1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol
CID 107947613
[1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine
CID 107947997

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine (CID 107948303) is [1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine is CCc1nn(C)c(CC(NN)c2cc(Cl)cc(Br)c2)c1Br.
What is the InChIKey of [1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine?
The InChIKey is FNBUZLVTOFOWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2ClN4/c1-3-11-14(16)13(21(2)20-11)7-12(19-18)8-4-9(15)6-10(17)5-8/h4-6,12,19H,3,7,18H2,1-2H3.
What are the key properties of [1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine?
[1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine has a molecular weight of 436.58 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 107948303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).