[[2-bromo-5-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]hydrazine

C12H12BrF3N4 — CID 103140789

IUPAC[[2-bromo-5-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]hydrazine
SMILESCn1ccc(C(NN)c2cc(C(F)(F)F)ccc2Br)n1
InChIInChI=1S/C12H12BrF3N4/c1-20-5-4-10(19-20)11(18-17)8-6-7(12(14,15)16)2-3-9(8)13/h2-6,11,18H,17H2,1H3
InChIKeyDMLNZMPTBCVVKO-UHFFFAOYSA-N
MW349.15 g/mol
LogP2.75
Rot. Bonds3

About [[2-bromo-5-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]hydrazine

[[2-bromo-5-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]hydrazine (PubChem CID 103140789) has the molecular formula C12H12BrF3N4 and a molecular weight of 349.15 g/mol. Its IUPAC name is [[2-bromo-5-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[[2-bromo-5-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]hydrazine
PubChem CID103140789
Molecular FormulaC12H12BrF3N4
Molecular Weight349.15 g/mol
Exact Mass348.02
IUPAC Name[[2-bromo-5-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]hydrazine
SMILESCn1ccc(C(NN)c2cc(C(F)(F)F)ccc2Br)n1
InChIInChI=1S/C12H12BrF3N4/c1-20-5-4-10(19-20)11(18-17)8-6-7(12(14,15)16)2-3-9(8)13/h2-6,11,18H,17H2,1H3
InChIKeyDMLNZMPTBCVVKO-UHFFFAOYSA-N
XLogP2.75
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.15
LogP ≤ 52.75
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

1-[2-bromo-5-(trifluoromethyl)phenyl]-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103134947
[(4,5-dibromothiophen-2-yl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140934
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1-methylpyrazol-3-yl)ethanol
CID 115828715
[(2,4-dimethylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 105228647
[(2,4-difluoro-5-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103141162
N-[(2-bromo-5-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103134953
[(2-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103141046
[(2-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 102759477
[(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 105228669
N-[(2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135736
[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786832
[(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 107103871

Frequently Asked Questions

What is the IUPAC name of [[2-bromo-5-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]hydrazine?
The IUPAC name of [[2-bromo-5-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]hydrazine (CID 103140789) is [[2-bromo-5-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [[2-bromo-5-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]hydrazine?
The canonical SMILES for [[2-bromo-5-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]hydrazine is Cn1ccc(C(NN)c2cc(C(F)(F)F)ccc2Br)n1.
What is the InChIKey of [[2-bromo-5-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]hydrazine?
The InChIKey is DMLNZMPTBCVVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF3N4/c1-20-5-4-10(19-20)11(18-17)8-6-7(12(14,15)16)2-3-9(8)13/h2-6,11,18H,17H2,1H3.
What are the key properties of [[2-bromo-5-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]hydrazine?
[[2-bromo-5-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]hydrazine has a molecular weight of 349.15 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-bromo-5-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 103140789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).