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

C14H17BrCl2N4 — CID 105316685

IUPAC[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
SMILESCCn1nc(C)c(Br)c1CC(NN)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H17BrCl2N4/c1-3-21-13(14(15)8(2)20-21)7-12(19-18)10-6-9(16)4-5-11(10)17/h4-6,12,19H,3,7,18H2,1-2H3
InChIKeyYTMPROUJJXTYPL-UHFFFAOYSA-N
MW392.13 g/mol
LogP4.03
Rot. Bonds5

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

[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine (PubChem CID 105316685) has the molecular formula C14H17BrCl2N4 and a molecular weight of 392.13 g/mol. Its IUPAC name is [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
PubChem CID105316685
Molecular FormulaC14H17BrCl2N4
Molecular Weight392.13 g/mol
Exact Mass390.00
IUPAC Name[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
SMILESCCn1nc(C)c(Br)c1CC(NN)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H17BrCl2N4/c1-3-21-13(14(15)8(2)20-21)7-12(19-18)10-6-9(16)4-5-11(10)17/h4-6,12,19H,3,7,18H2,1-2H3
InChIKeyYTMPROUJJXTYPL-UHFFFAOYSA-N
XLogP4.03
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.13
LogP ≤ 54.03
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-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-hydrazinylethyl]aniline
CID 105223757
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 104998174
[1-(4-bromo-2-chlorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine
CID 105317004
[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-(5-chloro-2-methoxyphenyl)ethanol
CID 115812967
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105217846
[1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine
CID 105317018
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine
CID 105316977
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-6-fluorophenyl)ethyl]hydrazine
CID 105280339
[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-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 79783515

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine (CID 105316685) is [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine is CCn1nc(C)c(Br)c1CC(NN)c1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine?
The InChIKey is YTMPROUJJXTYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrCl2N4/c1-3-21-13(14(15)8(2)20-21)7-12(19-18)10-6-9(16)4-5-11(10)17/h4-6,12,19H,3,7,18H2,1-2H3.
What are the key properties of [2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine?
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine has a molecular weight of 392.13 g/mol, XLogP of 4.03, 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-(2,5-dichlorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105316685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).