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

C13H13F3N4O — CID 105352183

IUPAC2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(Cn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)11-5-6-20(19-11)8-10-3-1-9(2-4-10)7-12(21)18-17/h1-6H,7-8,17H2,(H,18,21)
InChIKeyGMLBKMUNSBYKOY-UHFFFAOYSA-N
MW298.27 g/mol
LogP1.48
Rot. Bonds4

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

2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide (PubChem CID 105352183) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide
PubChem CID105352183
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(Cn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)11-5-6-20(19-11)8-10-3-1-9(2-4-10)7-12(21)18-17/h1-6H,7-8,17H2,(H,18,21)
InChIKeyGMLBKMUNSBYKOY-UHFFFAOYSA-N
XLogP1.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 51.48
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-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide
CID 115465587
1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 105352263
4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide
CID 63579585
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530737
N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]ethanamine
CID 62441951
N-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine
CID 62441950
trimethyl-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]silane
CID 103438540
N'-hydroxy-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzenecarboximidamide
CID 76913324
2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2809216
2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 166407431
N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 81341056
N-[4-(aminomethyl)-1,5-dimethylpyrazol-3-yl]-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzamide
CID 166261533

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide (CID 105352183) is 2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide is NNC(=O)Cc1ccc(Cn2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide?
The InChIKey is GMLBKMUNSBYKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c14-13(15,16)11-5-6-20(19-11)8-10-3-1-9(2-4-10)7-12(21)18-17/h1-6H,7-8,17H2,(H,18,21).
What are the key properties of 2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide?
2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide has a molecular weight of 298.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105352183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).