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

C16H23BrN4 — CID 105314872

IUPAC[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)c2ccc(C)c(C)c2)c1Br
InChIInChI=1S/C16H23BrN4/c1-5-13-16(17)15(21(4)20-13)9-14(19-18)12-7-6-10(2)11(3)8-12/h6-8,14,19H,5,9,18H2,1-4H3
InChIKeyFPKPARBBQWYEKG-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.11
Rot. Bonds5

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

[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine (PubChem CID 105314872) has the molecular formula C16H23BrN4 and a molecular weight of 351.29 g/mol. Its IUPAC name is [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
PubChem CID105314872
Molecular FormulaC16H23BrN4
Molecular Weight351.29 g/mol
Exact Mass350.11
IUPAC Name[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)c2ccc(C)c(C)c2)c1Br
InChIInChI=1S/C16H23BrN4/c1-5-13-16(17)15(21(4)20-13)9-14(19-18)12-7-6-10(2)11(3)8-12/h6-8,14,19H,5,9,18H2,1-4H3
InChIKeyFPKPARBBQWYEKG-UHFFFAOYSA-N
XLogP3.11
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.11
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-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194397
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine
CID 107979192
[1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 107948303
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228761
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylimidazol-4-yl)ethyl]hydrazine
CID 105264709
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755458
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105200822
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-4-methoxyphenyl)ethyl]hydrazine
CID 105317885
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-bromo-3-fluorophenyl)-N-methylethanamine
CID 104994455
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine
CID 106756613
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-bromo-2-methylphenyl)ethyl]hydrazine
CID 105317802
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 105314861

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine (CID 105314872) is [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine is CCc1nn(C)c(CC(NN)c2ccc(C)c(C)c2)c1Br.
What is the InChIKey of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine?
The InChIKey is FPKPARBBQWYEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4/c1-5-13-16(17)15(21(4)20-13)9-14(19-18)12-7-6-10(2)11(3)8-12/h6-8,14,19H,5,9,18H2,1-4H3.
What are the key properties of [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine?
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine has a molecular weight of 351.29 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105314872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).