[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine

C14H17Br2ClN4 — CID 105316977

IUPAC[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine
SMILESCCn1nc(C)c(Cl)c1CC(NN)c1cc(Br)ccc1Br
InChIInChI=1S/C14H17Br2ClN4/c1-3-21-13(14(17)8(2)20-21)7-12(19-18)10-6-9(15)4-5-11(10)16/h4-6,12,19H,3,7,18H2,1-2H3
InChIKeyXLHHMGWAXJOEKL-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.14
Rot. Bonds5

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

[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine (PubChem CID 105316977) has the molecular formula C14H17Br2ClN4 and a molecular weight of 436.58 g/mol. Its IUPAC name is [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine
PubChem CID105316977
Molecular FormulaC14H17Br2ClN4
Molecular Weight436.58 g/mol
Exact Mass433.95
IUPAC Name[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine
SMILESCCn1nc(C)c(Cl)c1CC(NN)c1cc(Br)ccc1Br
InChIInChI=1S/C14H17Br2ClN4/c1-3-21-13(14(17)8(2)20-21)7-12(19-18)10-6-9(15)4-5-11(10)16/h4-6,12,19H,3,7,18H2,1-2H3
InChIKeyXLHHMGWAXJOEKL-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
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

[1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine
CID 105317018
[1-(4-bromo-2-chlorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine
CID 105317004
[1-(3-bromo-2-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine
CID 105317005
1-(2-amino-5-bromophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 82703409
1-(5-bromo-2-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanamine
CID 104998909
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 104996741
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine
CID 105196368
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethyl-4-pyridinyl)ethyl]hydrazine
CID 105262062
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105316685
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine
CID 105316992
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-methyl-2-pyridinyl)ethyl]hydrazine
CID 105209109
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105228301

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine?
The IUPAC name of [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine (CID 105316977) is [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine is CCn1nc(C)c(Cl)c1CC(NN)c1cc(Br)ccc1Br.
What is the InChIKey of [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine?
The InChIKey is XLHHMGWAXJOEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2ClN4/c1-3-21-13(14(17)8(2)20-21)7-12(19-18)10-6-9(15)4-5-11(10)16/h4-6,12,19H,3,7,18H2,1-2H3.
What are the key properties of [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine?
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine has a molecular weight of 436.58 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine is sourced from PubChem (CID 105316977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).