4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine

C12H15BrFN5 — CID 105230777

IUPAC4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(C(Cc2ccc(F)cc2Br)NN)c1N
InChIInChI=1S/C12H15BrFN5/c1-19-12(15)9(6-17-19)11(18-16)4-7-2-3-8(14)5-10(7)13/h2-3,5-6,11,18H,4,15-16H2,1H3
InChIKeyRJRGXPBDGQDDPZ-UHFFFAOYSA-N
MW328.19 g/mol
LogP1.65
Rot. Bonds4

About 4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine

4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine (PubChem CID 105230777) has the molecular formula C12H15BrFN5 and a molecular weight of 328.19 g/mol. Its IUPAC name is 4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
PubChem CID105230777
Molecular FormulaC12H15BrFN5
Molecular Weight328.19 g/mol
Exact Mass327.05
IUPAC Name4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(C(Cc2ccc(F)cc2Br)NN)c1N
InChIInChI=1S/C12H15BrFN5/c1-19-12(15)9(6-17-19)11(18-16)4-7-2-3-8(14)5-10(7)13/h2-3,5-6,11,18H,4,15-16H2,1H3
InChIKeyRJRGXPBDGQDDPZ-UHFFFAOYSA-N
XLogP1.65
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 51.65
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]-1H-pyrazol-5-amine
CID 105231120
[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-4-pyridinyl)ethyl]hydrazine
CID 105261810
[2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]hydrazine
CID 105258571
4-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
CID 102867831
4-[2-(3-bromophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
CID 105230843
[2-(2-bromo-4-fluorophenyl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203629
[2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105194059
[1-(3-bromo-2-chlorophenyl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine
CID 105296712
[2-(2-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine
CID 105296596
4-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
CID 105230944
4-[1-hydrazinyl-2-(1-methylpyrazol-3-yl)ethyl]-1-methylpyrazol-5-amine
CID 105230787
4-[(5-fluoro-2-methylphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 105230723

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine (CID 105230777) is 4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine is Cn1ncc(C(Cc2ccc(F)cc2Br)NN)c1N.
What is the InChIKey of 4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine?
The InChIKey is RJRGXPBDGQDDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN5/c1-19-12(15)9(6-17-19)11(18-16)4-7-2-3-8(14)5-10(7)13/h2-3,5-6,11,18H,4,15-16H2,1H3.
What are the key properties of 4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine?
4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine has a molecular weight of 328.19 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromo-4-fluorophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 105230777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).