N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide

C16H17F3N4O3 — CID 35804088

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)Cn2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C16H17F3N4O3/c1-10-3-4-11(2)12(7-10)26-9-15(25)21-20-14(24)8-23-6-5-13(22-23)16(17,18)19/h3-7H,8-9H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyLOBNZGPUWVNLOU-UHFFFAOYSA-N
MW370.33 g/mol
LogP1.75
Rot. Bonds5

About N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide (PubChem CID 35804088) has the molecular formula C16H17F3N4O3 and a molecular weight of 370.33 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
PubChem CID35804088
Molecular FormulaC16H17F3N4O3
Molecular Weight370.33 g/mol
Exact Mass370.13
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)Cn2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C16H17F3N4O3/c1-10-3-4-11(2)12(7-10)26-9-15(25)21-20-14(24)8-23-6-5-13(22-23)16(17,18)19/h3-7H,8-9H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyLOBNZGPUWVNLOU-UHFFFAOYSA-N
XLogP1.75
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 90588586
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 27568841
N-[2-(difluoromethoxy)-5-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530895
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
2-methoxy-N-[3-oxo-3-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinyl]propyl]benzamide
CID 24979775
5-ethyl-4-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]thiophene-2-carbohydrazide
CID 9418328
2-(4-methylphenyl)-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]quinoline-4-carbohydrazide
CID 55333625
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 34486049
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
N-[[3-methoxy-4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2092747
2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071565

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide (CID 35804088) is N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide is Cc1ccc(C)c(OCC(=O)NNC(=O)Cn2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The InChIKey is LOBNZGPUWVNLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O3/c1-10-3-4-11(2)12(7-10)26-9-15(25)21-20-14(24)8-23-6-5-13(22-23)16(17,18)19/h3-7H,8-9H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide has a molecular weight of 370.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide is sourced from PubChem (CID 35804088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).