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

C14H17BrClFN4 — CID 105314861

IUPAC[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)c2c(F)cccc2Cl)c1Br
InChIInChI=1S/C14H17BrClFN4/c1-3-10-14(15)12(21(2)20-10)7-11(19-18)13-8(16)5-4-6-9(13)17/h4-6,11,19H,3,7,18H2,1-2H3
InChIKeyFPRKVSKPFPBZLE-UHFFFAOYSA-N
MW375.67 g/mol
LogP3.28
Rot. Bonds5

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

[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine (PubChem CID 105314861) has the molecular formula C14H17BrClFN4 and a molecular weight of 375.67 g/mol. Its IUPAC name is [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine
PubChem CID105314861
Molecular FormulaC14H17BrClFN4
Molecular Weight375.67 g/mol
Exact Mass374.03
IUPAC Name[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)c2c(F)cccc2Cl)c1Br
InChIInChI=1S/C14H17BrClFN4/c1-3-10-14(15)12(21(2)20-10)7-11(19-18)13-8(16)5-4-6-9(13)17/h4-6,11,19H,3,7,18H2,1-2H3
InChIKeyFPRKVSKPFPBZLE-UHFFFAOYSA-N
XLogP3.28
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.67
LogP ≤ 53.28
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-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,6-difluorophenyl)ethyl]hydrazine
CID 105246689
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-3-fluorophenyl)ethyl]hydrazine
CID 105316835
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine
CID 105000219
[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-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228761
[1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 107948303
[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-(2,3-dichlorophenyl)ethanamine
CID 104994662
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105314872
[1-(2-chloro-6-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine
CID 105318291
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)ethyl]hydrazine
CID 107103733
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)ethanol
CID 107103386

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine (CID 105314861) is [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine is CCc1nn(C)c(CC(NN)c2c(F)cccc2Cl)c1Br.
What is the InChIKey of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine?
The InChIKey is FPRKVSKPFPBZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClFN4/c1-3-10-14(15)12(21(2)20-10)7-11(19-18)13-8(16)5-4-6-9(13)17/h4-6,11,19H,3,7,18H2,1-2H3.
What are the key properties of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine?
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine has a molecular weight of 375.67 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105314861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).