N-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C14H14F3N3O3 — CID 9096694

IUPACN-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1cc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc(OC)c1
InChIInChI=1S/C14H14F3N3O3/c1-22-10-5-9(6-11(7-10)23-2)18-13(21)8-20-4-3-12(19-20)14(15,16)17/h3-7H,8H2,1-2H3,(H,18,21)
InChIKeyLRQXBYVHEUXAQO-UHFFFAOYSA-N
MW329.28 g/mol
LogP2.56
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 9096694) has the molecular formula C14H14F3N3O3 and a molecular weight of 329.28 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID9096694
Molecular FormulaC14H14F3N3O3
Molecular Weight329.28 g/mol
Exact Mass329.10
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1cc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc(OC)c1
InChIInChI=1S/C14H14F3N3O3/c1-22-10-5-9(6-11(7-10)23-2)18-13(21)8-20-4-3-12(19-20)14(15,16)17/h3-7H,8H2,1-2H3,(H,18,21)
InChIKeyLRQXBYVHEUXAQO-UHFFFAOYSA-N
XLogP2.56
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26591497
N-[3-(methoxymethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 33288169
2-(3-tert-butylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122142305
N-(4-phenoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2505978
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26877145
3-chloro-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoic acid
CID 167822851
N-[3-(methylcarbamoylamino)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 36825341
N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 32604372
N,N-dimethyl-4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzamide
CID 38107131
N'-[1-(4-methoxyphenyl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
CID 2351774
N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530808
N-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9245501

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 9096694) is N-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is COc1cc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is LRQXBYVHEUXAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3/c1-22-10-5-9(6-11(7-10)23-2)18-13(21)8-20-4-3-12(19-20)14(15,16)17/h3-7H,8H2,1-2H3,(H,18,21).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 329.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 9096694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).