4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline

C13H18BrN5 — CID 105263459

IUPAC4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline
SMILESCCCn1cc(C(NN)c2cc(Br)ccc2N)cn1
InChIInChI=1S/C13H18BrN5/c1-2-5-19-8-9(7-17-19)13(18-16)11-6-10(14)3-4-12(11)15/h3-4,6-8,13,18H,2,5,15-16H2,1H3
InChIKeyZOBAQEYMHVZTGT-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.19
Rot. Bonds5

About 4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline

4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline (PubChem CID 105263459) has the molecular formula C13H18BrN5 and a molecular weight of 324.23 g/mol. Its IUPAC name is 4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline
PubChem CID105263459
Molecular FormulaC13H18BrN5
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC Name4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline
SMILESCCCn1cc(C(NN)c2cc(Br)ccc2N)cn1
InChIInChI=1S/C13H18BrN5/c1-2-5-19-8-9(7-17-19)13(18-16)11-6-10(14)3-4-12(11)15/h3-4,6-8,13,18H,2,5,15-16H2,1H3
InChIKeyZOBAQEYMHVZTGT-UHFFFAOYSA-N
XLogP2.19
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-chlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808196
[(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288475
[(2,5-dimethylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288509
N-[(5-bromo-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 114894914
4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline
CID 105263508
[(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105222098
[(4-chloro-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105217842
[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288605
[(4-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105194305
[(1-propylpyrazol-4-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196444
[(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288494
[(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208089

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline (CID 105263459) is 4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline is CCCn1cc(C(NN)c2cc(Br)ccc2N)cn1.
What is the InChIKey of 4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline?
The InChIKey is ZOBAQEYMHVZTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5/c1-2-5-19-8-9(7-17-19)13(18-16)11-6-10(14)3-4-12(11)15/h3-4,6-8,13,18H,2,5,15-16H2,1H3.
What are the key properties of 4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline?
4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline has a molecular weight of 324.23 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 105263459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).