[(4-bromo-1-propylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine

C16H23BrN4 — CID 105336638

IUPAC[(4-bromo-1-propylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine
SMILESCCCn1ncc(Br)c1C(NN)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H23BrN4/c1-5-6-21-16(13(17)9-19-21)15(20-18)14-11(3)7-10(2)8-12(14)4/h7-9,15,20H,5-6,18H2,1-4H3
InChIKeyUHOXHYHPRYQUHL-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.53
Rot. Bonds5

About [(4-bromo-1-propylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine

[(4-bromo-1-propylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine (PubChem CID 105336638) has the molecular formula C16H23BrN4 and a molecular weight of 351.29 g/mol. Its IUPAC name is [(4-bromo-1-propylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-propylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine
PubChem CID105336638
Molecular FormulaC16H23BrN4
Molecular Weight351.29 g/mol
Exact Mass350.11
IUPAC Name[(4-bromo-1-propylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine
SMILESCCCn1ncc(Br)c1C(NN)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H23BrN4/c1-5-6-21-16(13(17)9-19-21)15(20-18)14-11(3)7-10(2)8-12(14)4/h7-9,15,20H,5-6,18H2,1-4H3
InChIKeyUHOXHYHPRYQUHL-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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

[(4-bromo-1-propylpyrazol-5-yl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 105336644
[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine
CID 103408784
[(4-bromo-1-propylpyrazol-5-yl)-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105336612
[(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 105201663
[(3-bromo-5-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methyl]hydrazine
CID 114019567
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 105042480
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methylpropyl]hydrazine
CID 105199703
[(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine
CID 106694739
[(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine
CID 105336675
[(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105337238
[1-(4-bromo-1-propylpyrazol-5-yl)-2-propylpentyl]hydrazine
CID 105336590
1-(5-bromo-2-methylphenyl)-1-(4-bromo-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105041545

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-propylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-propylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine (CID 105336638) is [(4-bromo-1-propylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-propylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-propylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine is CCCn1ncc(Br)c1C(NN)c1c(C)cc(C)cc1C.
What is the InChIKey of [(4-bromo-1-propylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine?
The InChIKey is UHOXHYHPRYQUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4/c1-5-6-21-16(13(17)9-19-21)15(20-18)14-11(3)7-10(2)8-12(14)4/h7-9,15,20H,5-6,18H2,1-4H3.
What are the key properties of [(4-bromo-1-propylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine?
[(4-bromo-1-propylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine has a molecular weight of 351.29 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-propylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 105336638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).