4-[2-(3-bromophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine

C12H16BrN5 — CID 105230843

IUPAC4-[2-(3-bromophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(C(Cc2cccc(Br)c2)NN)c1N
InChIInChI=1S/C12H16BrN5/c1-18-12(14)10(7-16-18)11(17-15)6-8-3-2-4-9(13)5-8/h2-5,7,11,17H,6,14-15H2,1H3
InChIKeyAQRNBCZCANBVKQ-UHFFFAOYSA-N
MW310.20 g/mol
LogP1.51
Rot. Bonds4

About 4-[2-(3-bromophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine

4-[2-(3-bromophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine (PubChem CID 105230843) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is 4-[2-(3-bromophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[2-(3-bromophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
PubChem CID105230843
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name4-[2-(3-bromophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(C(Cc2cccc(Br)c2)NN)c1N
InChIInChI=1S/C12H16BrN5/c1-18-12(14)10(7-16-18)11(17-15)6-8-3-2-4-9(13)5-8/h2-5,7,11,17H,6,14-15H2,1H3
InChIKeyAQRNBCZCANBVKQ-UHFFFAOYSA-N
XLogP1.51
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
CID 105230777
[2-(3-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105284541
[2-(3-bromophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]hydrazine
CID 105284614
4-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
CID 102867831
[2-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105202686
4-[1-hydrazinyl-2-(1-methylpyrazol-3-yl)ethyl]-1-methylpyrazol-5-amine
CID 105230787
[2-(3-bromophenyl)-1-(furan-3-yl)ethyl]hydrazine
CID 105202855
[2-(3-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]hydrazine
CID 105284583
[2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine
CID 105284546
4-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
CID 105230944
2-(3-bromophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine
CID 114648016
[2-(3-bromophenyl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine
CID 105284531

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[2-(3-bromophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine (CID 105230843) is 4-[2-(3-bromophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[2-(3-bromophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[2-(3-bromophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine is Cn1ncc(C(Cc2cccc(Br)c2)NN)c1N.
What is the InChIKey of 4-[2-(3-bromophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine?
The InChIKey is AQRNBCZCANBVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-18-12(14)10(7-16-18)11(17-15)6-8-3-2-4-9(13)5-8/h2-5,7,11,17H,6,14-15H2,1H3.
What are the key properties of 4-[2-(3-bromophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine?
4-[2-(3-bromophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine has a molecular weight of 310.20 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 105230843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).