2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide

C6H6BrF3N4O — CID 19620188

IUPAC2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
SMILESNNC(=O)Cn1cc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C6H6BrF3N4O/c7-3-1-14(2-4(15)12-11)13-5(3)6(8,9)10/h1H,2,11H2,(H,12,15)
InChIKeyGGQJWJAZCXIOSY-UHFFFAOYSA-N
MW287.04 g/mol
LogP0.65
Rot. Bonds2

About 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide

2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide (PubChem CID 19620188) has the molecular formula C6H6BrF3N4O and a molecular weight of 287.04 g/mol. Its IUPAC name is 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
PubChem CID19620188
Molecular FormulaC6H6BrF3N4O
Molecular Weight287.04 g/mol
Exact Mass285.97
IUPAC Name2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
SMILESNNC(=O)Cn1cc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C6H6BrF3N4O/c7-3-1-14(2-4(15)12-11)13-5(3)6(8,9)10/h1H,2,11H2,(H,12,15)
InChIKeyGGQJWJAZCXIOSY-UHFFFAOYSA-N
XLogP0.65
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.04
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-Trifluoromethyl-pyrazol-1-yl)-acetic acid hydrazide
CID 2064142
4-bromo-1-methyl-1H-pyrazole-5-carbohydrazide
CID 1273244
2-[4-Bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 144506031
(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
CID 7017529
(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
CID 7174114
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-2,2,2-trifluoroacetamide
CID 19296484
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
CID 19585435
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propanehydrazide
CID 19616373
2-[4-Chloro-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
CID 19620187
2-[4-Bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
CID 19620192
3-[4-Bromo-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
CID 19620196
N-(2-aminoethyl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19620793

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The IUPAC name of 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide (CID 19620188) is 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide.
What is the SMILES notation for 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The canonical SMILES for 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide is NNC(=O)Cn1cc(Br)c(C(F)(F)F)n1.
What is the InChIKey of 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The InChIKey is GGQJWJAZCXIOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF3N4O/c7-3-1-14(2-4(15)12-11)13-5(3)6(8,9)10/h1H,2,11H2,(H,12,15).
What are the key properties of 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide has a molecular weight of 287.04 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide is sourced from PubChem (CID 19620188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).