2-pyrazol-1-yl-N'-[2-(trifluoromethyl)phenyl]propanehydrazide

C13H13F3N4O — CID 71898167

IUPAC2-pyrazol-1-yl-N'-[2-(trifluoromethyl)phenyl]propanehydrazide
SMILESCC(C(=O)NNc1ccccc1C(F)(F)F)n1cccn1
InChIInChI=1S/C13H13F3N4O/c1-9(20-8-4-7-17-20)12(21)19-18-11-6-3-2-5-10(11)13(14,15)16/h2-9,18H,1H3,(H,19,21)
InChIKeyJLBTZBFZYHUZCX-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.61
Rot. Bonds4

About 2-pyrazol-1-yl-N'-[2-(trifluoromethyl)phenyl]propanehydrazide

2-pyrazol-1-yl-N'-[2-(trifluoromethyl)phenyl]propanehydrazide (PubChem CID 71898167) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N'-[2-(trifluoromethyl)phenyl]propanehydrazide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N'-[2-(trifluoromethyl)phenyl]propanehydrazide
PubChem CID71898167
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name2-pyrazol-1-yl-N'-[2-(trifluoromethyl)phenyl]propanehydrazide
SMILESCC(C(=O)NNc1ccccc1C(F)(F)F)n1cccn1
InChIInChI=1S/C13H13F3N4O/c1-9(20-8-4-7-17-20)12(21)19-18-11-6-3-2-5-10(11)13(14,15)16/h2-9,18H,1H3,(H,19,21)
InChIKeyJLBTZBFZYHUZCX-UHFFFAOYSA-N
XLogP2.61
TPSA58.95 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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156271
N-methyl-2-(2-pyrazol-1-ylpropanoylamino)benzamide
CID 43055255
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
1-[(2S)-3-methylbutan-2-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 51944178
N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187533
N'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
CID 71882069
[2-(trifluoromethyl)anilino]urea
CID 141255172
(2S)-2-pyrazol-1-yl-N-[2-(trifluoromethyl)-1,3-benzoxazol-4-yl]propanamide
CID 97067698
(2S)-2-methoxy-2-phenyl-N'-[2-(trifluoromethyl)phenyl]acetohydrazide
CID 96517757
N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
CID 134060458
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide
CID 103772679
(2R)-N-[(S)-phenyl(pyridin-4-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 95934280

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N'-[2-(trifluoromethyl)phenyl]propanehydrazide?
The IUPAC name of 2-pyrazol-1-yl-N'-[2-(trifluoromethyl)phenyl]propanehydrazide (CID 71898167) is 2-pyrazol-1-yl-N'-[2-(trifluoromethyl)phenyl]propanehydrazide.
What is the SMILES notation for 2-pyrazol-1-yl-N'-[2-(trifluoromethyl)phenyl]propanehydrazide?
The canonical SMILES for 2-pyrazol-1-yl-N'-[2-(trifluoromethyl)phenyl]propanehydrazide is CC(C(=O)NNc1ccccc1C(F)(F)F)n1cccn1.
What is the InChIKey of 2-pyrazol-1-yl-N'-[2-(trifluoromethyl)phenyl]propanehydrazide?
The InChIKey is JLBTZBFZYHUZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-9(20-8-4-7-17-20)12(21)19-18-11-6-3-2-5-10(11)13(14,15)16/h2-9,18H,1H3,(H,19,21).
What are the key properties of 2-pyrazol-1-yl-N'-[2-(trifluoromethyl)phenyl]propanehydrazide?
2-pyrazol-1-yl-N'-[2-(trifluoromethyl)phenyl]propanehydrazide has a molecular weight of 298.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N'-[2-(trifluoromethyl)phenyl]propanehydrazide is sourced from PubChem (CID 71898167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).