[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-chlorophenyl)ethyl]hydrazine

C13H16BrClN4 — CID 105209581

IUPAC[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-chlorophenyl)ethyl]hydrazine
SMILESCCn1ncc(Br)c1C(Cc1ccccc1Cl)NN
InChIInChI=1S/C13H16BrClN4/c1-2-19-13(10(14)8-17-19)12(18-16)7-9-5-3-4-6-11(9)15/h3-6,8,12,18H,2,7,16H2,1H3
InChIKeyXUJOYUARMRPHQM-UHFFFAOYSA-N
MW343.66 g/mol
LogP3.07
Rot. Bonds5

About [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-chlorophenyl)ethyl]hydrazine

[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-chlorophenyl)ethyl]hydrazine (PubChem CID 105209581) has the molecular formula C13H16BrClN4 and a molecular weight of 343.66 g/mol. Its IUPAC name is [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-chlorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-chlorophenyl)ethyl]hydrazine
PubChem CID105209581
Molecular FormulaC13H16BrClN4
Molecular Weight343.66 g/mol
Exact Mass342.02
IUPAC Name[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-chlorophenyl)ethyl]hydrazine
SMILESCCn1ncc(Br)c1C(Cc1ccccc1Cl)NN
InChIInChI=1S/C13H16BrClN4/c1-2-19-13(10(14)8-17-19)12(18-16)7-9-5-3-4-6-11(9)15/h3-6,8,12,18H,2,7,16H2,1H3
InChIKeyXUJOYUARMRPHQM-UHFFFAOYSA-N
XLogP3.07
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.66
LogP ≤ 53.07
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

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[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-chlorophenyl)ethyl]hydrazine
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1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
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[1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,3-difluorophenyl)ethyl]hydrazine
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1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-chlorophenyl)ethanamine
CID 114649028
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105336257
2-[(4-bromo-1-ethylpyrazol-5-yl)-hydrazinylmethyl]aniline
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[1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxybutyl]hydrazine
CID 105225084
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine
CID 114647076
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 105040192
3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244143
[(4-bromo-1-ethylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methyl]hydrazine
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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-chlorophenyl)ethyl]hydrazine?
The IUPAC name of [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-chlorophenyl)ethyl]hydrazine (CID 105209581) is [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-chlorophenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-chlorophenyl)ethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-chlorophenyl)ethyl]hydrazine is CCn1ncc(Br)c1C(Cc1ccccc1Cl)NN.
What is the InChIKey of [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-chlorophenyl)ethyl]hydrazine?
The InChIKey is XUJOYUARMRPHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN4/c1-2-19-13(10(14)8-17-19)12(18-16)7-9-5-3-4-6-11(9)15/h3-6,8,12,18H,2,7,16H2,1H3.
What are the key properties of [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-chlorophenyl)ethyl]hydrazine?
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-chlorophenyl)ethyl]hydrazine has a molecular weight of 343.66 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-chlorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105209581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).