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

C15H20BrClN4 — CID 105317018

IUPAC[1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine
SMILESCCn1nc(C)c(Cl)c1CC(NN)c1cc(C)ccc1Br
InChIInChI=1S/C15H20BrClN4/c1-4-21-14(15(17)10(3)20-21)8-13(19-18)11-7-9(2)5-6-12(11)16/h5-7,13,19H,4,8,18H2,1-3H3
InChIKeyJTBIPTJXZCXHHD-UHFFFAOYSA-N
MW371.71 g/mol
LogP3.68
Rot. Bonds5

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

[1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine (PubChem CID 105317018) has the molecular formula C15H20BrClN4 and a molecular weight of 371.71 g/mol. Its IUPAC name is [1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine
PubChem CID105317018
Molecular FormulaC15H20BrClN4
Molecular Weight371.71 g/mol
Exact Mass370.06
IUPAC Name[1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine
SMILESCCn1nc(C)c(Cl)c1CC(NN)c1cc(C)ccc1Br
InChIInChI=1S/C15H20BrClN4/c1-4-21-14(15(17)10(3)20-21)8-13(19-18)11-7-9(2)5-6-12(11)16/h5-7,13,19H,4,8,18H2,1-3H3
InChIKeyJTBIPTJXZCXHHD-UHFFFAOYSA-N
XLogP3.68
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 53.68
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-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine
CID 105316977
[1-(3-bromo-2-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine
CID 105317005
[1-(4-bromo-2-chlorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine
CID 105317004
[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-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 104998643
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105316685
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine
CID 104998312
[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
1-(2-amino-5-bromophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 82703409

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine?
The IUPAC name of [1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine (CID 105317018) is [1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine is CCn1nc(C)c(Cl)c1CC(NN)c1cc(C)ccc1Br.
What is the InChIKey of [1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine?
The InChIKey is JTBIPTJXZCXHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN4/c1-4-21-14(15(17)10(3)20-21)8-13(19-18)11-7-9(2)5-6-12(11)16/h5-7,13,19H,4,8,18H2,1-3H3.
What are the key properties of [1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine?
[1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine has a molecular weight of 371.71 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105317018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).