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

C13H15BrClFN4 — CID 105217846

IUPAC[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine
SMILESCc1nn(C)c(CC(NN)c2ccc(Cl)cc2F)c1Br
InChIInChI=1S/C13H15BrClFN4/c1-7-13(14)12(20(2)19-7)6-11(18-17)9-4-3-8(15)5-10(9)16/h3-5,11,18H,6,17H2,1-2H3
InChIKeyJLHMCCHWGVMUJQ-UHFFFAOYSA-N
MW361.65 g/mol
LogP3.03
Rot. Bonds4

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

[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine (PubChem CID 105217846) has the molecular formula C13H15BrClFN4 and a molecular weight of 361.65 g/mol. Its IUPAC name is [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine
PubChem CID105217846
Molecular FormulaC13H15BrClFN4
Molecular Weight361.65 g/mol
Exact Mass360.02
IUPAC Name[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine
SMILESCc1nn(C)c(CC(NN)c2ccc(Cl)cc2F)c1Br
InChIInChI=1S/C13H15BrClFN4/c1-7-13(14)12(20(2)19-7)6-11(18-17)9-4-3-8(15)5-10(9)16/h3-5,11,18H,6,17H2,1-2H3
InChIKeyJLHMCCHWGVMUJQ-UHFFFAOYSA-N
XLogP3.03
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.65
LogP ≤ 53.03
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-1,3-dimethylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105317811
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)ethyl]hydrazine
CID 107103733
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-bromo-2-methylphenyl)ethyl]hydrazine
CID 105317802
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethyl]hydrazine
CID 107986094
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 105000382
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine
CID 105317823
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-chloro-2-methylphenyl)ethyl]hydrazine
CID 105316072
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105200126
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105316685
[1-(4-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105217996
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine
CID 105196448
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222450

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine (CID 105217846) is [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine is Cc1nn(C)c(CC(NN)c2ccc(Cl)cc2F)c1Br.
What is the InChIKey of [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine?
The InChIKey is JLHMCCHWGVMUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClFN4/c1-7-13(14)12(20(2)19-7)6-11(18-17)9-4-3-8(15)5-10(9)16/h3-5,11,18H,6,17H2,1-2H3.
What are the key properties of [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine?
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine has a molecular weight of 361.65 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105217846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).