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

C13H9F3N4O — CID 9245501

IUPACN-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESN#Cc1cccc(NC(=O)Cn2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)11-4-5-20(19-11)8-12(21)18-10-3-1-2-9(6-10)7-17/h1-6H,8H2,(H,18,21)
InChIKeyDAAYCUXCARBBJW-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.41
Rot. Bonds3

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

N-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 9245501) has the molecular formula C13H9F3N4O and a molecular weight of 294.24 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID9245501
Molecular FormulaC13H9F3N4O
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC NameN-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESN#Cc1cccc(NC(=O)Cn2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)11-4-5-20(19-11)8-12(21)18-10-3-1-2-9(6-10)7-17/h1-6H,8H2,(H,18,21)
InChIKeyDAAYCUXCARBBJW-UHFFFAOYSA-N
XLogP2.41
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methylcarbamoylamino)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 36825341
N-[3-(methoxymethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 33288169
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 56508223
N-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26591497
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4880016
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530768
N-(4-phenoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2505978
3-chloro-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoic acid
CID 167822851
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35559988
N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
CID 114650857
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

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 9245501) is N-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is N#Cc1cccc(NC(=O)Cn2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is DAAYCUXCARBBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O/c14-13(15,16)11-4-5-20(19-11)8-12(21)18-10-3-1-2-9(6-10)7-17/h1-6H,8H2,(H,18,21).
What are the key properties of N-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 294.24 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 9245501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).