2-methoxy-N-[3-oxo-3-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinyl]propyl]benzamide

C17H18F3N5O4 — CID 24979775

IUPAC2-methoxy-N-[3-oxo-3-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinyl]propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C17H18F3N5O4/c1-29-12-5-3-2-4-11(12)16(28)21-8-6-14(26)22-23-15(27)10-25-9-7-13(24-25)17(18,19)20/h2-5,7,9H,6,8,10H2,1H3,(H,21,28)(H,22,26)(H,23,27)
InChIKeyXAXJFKDJEJPOHA-UHFFFAOYSA-N
MW413.36 g/mol
LogP0.88
Rot. Bonds7

About 2-methoxy-N-[3-oxo-3-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinyl]propyl]benzamide

2-methoxy-N-[3-oxo-3-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinyl]propyl]benzamide (PubChem CID 24979775) has the molecular formula C17H18F3N5O4 and a molecular weight of 413.36 g/mol. Its IUPAC name is 2-methoxy-N-[3-oxo-3-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinyl]propyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-oxo-3-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinyl]propyl]benzamide
PubChem CID24979775
Molecular FormulaC17H18F3N5O4
Molecular Weight413.36 g/mol
Exact Mass413.13
IUPAC Name2-methoxy-N-[3-oxo-3-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinyl]propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C17H18F3N5O4/c1-29-12-5-3-2-4-11(12)16(28)21-8-6-14(26)22-23-15(27)10-25-9-7-13(24-25)17(18,19)20/h2-5,7,9H,6,8,10H2,1H3,(H,21,28)(H,22,26)(H,23,27)
InChIKeyXAXJFKDJEJPOHA-UHFFFAOYSA-N
XLogP0.88
TPSA114.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588583
N'-[1-(4-methoxyphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
CID 2351774
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
CID 35804088
2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588569
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
1-[(4-methoxyphenyl)methyl]-3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiourea
CID 9478874
1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
CID 71808010
2-methoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]benzamide
CID 71796955
N-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 60668203
2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 90588586
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934760
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55453203

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-oxo-3-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinyl]propyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-oxo-3-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinyl]propyl]benzamide (CID 24979775) is 2-methoxy-N-[3-oxo-3-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinyl]propyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-oxo-3-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinyl]propyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-oxo-3-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinyl]propyl]benzamide is COc1ccccc1C(=O)NCCC(=O)NNC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-methoxy-N-[3-oxo-3-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinyl]propyl]benzamide?
The InChIKey is XAXJFKDJEJPOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O4/c1-29-12-5-3-2-4-11(12)16(28)21-8-6-14(26)22-23-15(27)10-25-9-7-13(24-25)17(18,19)20/h2-5,7,9H,6,8,10H2,1H3,(H,21,28)(H,22,26)(H,23,27).
What are the key properties of 2-methoxy-N-[3-oxo-3-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinyl]propyl]benzamide?
2-methoxy-N-[3-oxo-3-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinyl]propyl]benzamide has a molecular weight of 413.36 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-oxo-3-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinyl]propyl]benzamide is sourced from PubChem (CID 24979775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).