2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide

C7H8BrF3N4O — CID 7018465

IUPAC2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
SMILESCc1c(Br)c(C(F)(F)F)nn1CC(=O)NN
InChIInChI=1S/C7H8BrF3N4O/c1-3-5(8)6(7(9,10)11)14-15(3)2-4(16)13-12/h2,12H2,1H3,(H,13,16)
InChIKeyLLRHJYJWEYIYIW-UHFFFAOYSA-N
MW301.07 g/mol
LogP0.96
Rot. Bonds2

About 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide (PubChem CID 7018465) has the molecular formula C7H8BrF3N4O and a molecular weight of 301.07 g/mol. Its IUPAC name is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
PubChem CID7018465
Molecular FormulaC7H8BrF3N4O
Molecular Weight301.07 g/mol
Exact Mass299.98
IUPAC Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
SMILESCc1c(Br)c(C(F)(F)F)nn1CC(=O)NN
InChIInChI=1S/C7H8BrF3N4O/c1-3-5(8)6(7(9,10)11)14-15(3)2-4(16)13-12/h2,12H2,1H3,(H,13,16)
InChIKeyLLRHJYJWEYIYIW-UHFFFAOYSA-N
XLogP0.96
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.07
LogP ≤ 50.96
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

2-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide
CID 604525
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 1244557
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methoxyethyl)acetamide
CID 1877143
2-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 813465
2-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazolyl]-1-piperidylethan-1-one
CID 1242220
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 1716418
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetohydrazide
CID 7018464
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(cyanomethyl)acetamide
CID 4356591
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CID 4427214
4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbohydrazide
CID 7018468
1-[[2-(4-Bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-methylthiourea
CID 2819892
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-butylacetamide
CID 1899616

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide (CID 7018465) is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide.
What is the SMILES notation for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The canonical SMILES for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide is Cc1c(Br)c(C(F)(F)F)nn1CC(=O)NN.
What is the InChIKey of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The InChIKey is LLRHJYJWEYIYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF3N4O/c1-3-5(8)6(7(9,10)11)14-15(3)2-4(16)13-12/h2,12H2,1H3,(H,13,16).
What are the key properties of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide has a molecular weight of 301.07 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide is sourced from PubChem (CID 7018465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).