N-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C13H12F3N3O2 — CID 60668203

IUPACN-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NOCc1ccccc1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)11-6-7-19(17-11)8-12(20)18-21-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,20)
InChIKeyWUBQYFUEPJNTDO-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.15
Rot. Bonds5

About N-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 60668203) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID60668203
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC NameN-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NOCc1ccccc1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)11-6-7-19(17-11)8-12(20)18-21-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,20)
InChIKeyWUBQYFUEPJNTDO-UHFFFAOYSA-N
XLogP2.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
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-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 81341056
N-(4-phenoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2505978
N-[3-(methoxymethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 33288169
2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2809216
ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
CID 60812044
N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530808
1-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopropane-1-carboxylic acid
CID 65453412
(2S,3R)-3-hydroxy-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]butanoic acid
CID 104965008
N-(2-aminoethyl)-N-(2-phenylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide;hydrochloride
CID 120884403
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 6908230
N-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 95778125
2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide
CID 115465587

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 60668203) is N-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NOCc1ccccc1.
What is the InChIKey of N-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is WUBQYFUEPJNTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c14-13(15,16)11-6-7-19(17-11)8-12(20)18-21-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,20).
What are the key properties of N-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 299.25 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 60668203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).