[(2-bromo-3,4-difluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine

C11H11BrF2N4 — CID 107541261

IUPAC[(2-bromo-3,4-difluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
SMILESCn1nccc1C(NN)c1ccc(F)c(F)c1Br
InChIInChI=1S/C11H11BrF2N4/c1-18-8(4-5-16-18)11(17-15)6-2-3-7(13)10(14)9(6)12/h2-5,11,17H,15H2,1H3
InChIKeyWQUPWANSATVJAC-UHFFFAOYSA-N
MW317.14 g/mol
LogP2.01
Rot. Bonds3

About [(2-bromo-3,4-difluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine

[(2-bromo-3,4-difluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine (PubChem CID 107541261) has the molecular formula C11H11BrF2N4 and a molecular weight of 317.14 g/mol. Its IUPAC name is [(2-bromo-3,4-difluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-3,4-difluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
PubChem CID107541261
Molecular FormulaC11H11BrF2N4
Molecular Weight317.14 g/mol
Exact Mass316.01
IUPAC Name[(2-bromo-3,4-difluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
SMILESCn1nccc1C(NN)c1ccc(F)c(F)c1Br
InChIInChI=1S/C11H11BrF2N4/c1-18-8(4-5-16-18)11(17-15)6-2-3-7(13)10(14)9(6)12/h2-5,11,17H,15H2,1H3
InChIKeyWQUPWANSATVJAC-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': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2-chloro-4-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105215276
[(4-bromophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105192289
[(5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105307526
N-[(2-methylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 115858376
[(2-bromo-3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 107541299
[(2-methylpyrazol-3-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337508
[(2-methylpyrazol-3-yl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102843262
[(2-methylpyrazol-3-yl)-naphthalen-1-ylmethyl]hydrazine
CID 105213181
[(5-chloro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105251346
1-(2-bromo-3-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 107984986
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63961194
[(2-bromo-3,4-difluorophenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 107541248

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-3,4-difluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-3,4-difluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine (CID 107541261) is [(2-bromo-3,4-difluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-3,4-difluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-3,4-difluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine is Cn1nccc1C(NN)c1ccc(F)c(F)c1Br.
What is the InChIKey of [(2-bromo-3,4-difluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine?
The InChIKey is WQUPWANSATVJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N4/c1-18-8(4-5-16-18)11(17-15)6-2-3-7(13)10(14)9(6)12/h2-5,11,17H,15H2,1H3.
What are the key properties of [(2-bromo-3,4-difluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine?
[(2-bromo-3,4-difluorophenyl)-(2-methylpyrazol-3-yl)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 [(2-bromo-3,4-difluorophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 107541261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).