[(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine

C11H11BrF2N4 — CID 105219438

IUPAC[(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
SMILESCn1ncc(Br)c1C(NN)c1cc(F)ccc1F
InChIInChI=1S/C11H11BrF2N4/c1-18-11(8(12)5-16-18)10(17-15)7-4-6(13)2-3-9(7)14/h2-5,10,17H,15H2,1H3
InChIKeyZMMIXZKQINLWDL-UHFFFAOYSA-N
MW317.14 g/mol
LogP2.01
Rot. Bonds3

About [(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine

[(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine (PubChem CID 105219438) has the molecular formula C11H11BrF2N4 and a molecular weight of 317.14 g/mol. Its IUPAC name is [(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
PubChem CID105219438
Molecular FormulaC11H11BrF2N4
Molecular Weight317.14 g/mol
Exact Mass316.01
IUPAC Name[(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
SMILESCn1ncc(Br)c1C(NN)c1cc(F)ccc1F
InChIInChI=1S/C11H11BrF2N4/c1-18-11(8(12)5-16-18)10(17-15)7-4-6(13)2-3-9(7)14/h2-5,10,17H,15H2,1H3
InChIKeyZMMIXZKQINLWDL-UHFFFAOYSA-N
XLogP2.01
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 52.01
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-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105219437
[(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208166
[(4-bromo-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204136
[(4-bromo-1-methylpyrazol-5-yl)-(2,4-dichlorophenyl)methyl]hydrazine
CID 105342098
1-(4-bromo-1-methylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114649394
[(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105342188
[(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine
CID 107997373
[(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105342179
[(4-chloro-1-methylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105216647
[(4-bromo-1-methylpyrazol-5-yl)-(4-bromophenyl)methyl]hydrazine
CID 105192475
[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]hydrazine
CID 106860278
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114651102

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine (CID 105219438) is [(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine is Cn1ncc(Br)c1C(NN)c1cc(F)ccc1F.
What is the InChIKey of [(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine?
The InChIKey is ZMMIXZKQINLWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N4/c1-18-11(8(12)5-16-18)10(17-15)7-4-6(13)2-3-9(7)14/h2-5,10,17H,15H2,1H3.
What are the key properties of [(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine?
[(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine has a molecular weight of 317.14 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105219438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).