N,N-dimethyl-4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzamide

C15H15F3N4O2 — CID 38107131

IUPACN,N-dimethyl-4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H15F3N4O2/c1-21(2)14(24)10-3-5-11(6-4-10)19-13(23)9-22-8-7-12(20-22)15(16,17)18/h3-8H,9H2,1-2H3,(H,19,23)
InChIKeyBCRGWRPZVFODRJ-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.24
Rot. Bonds4

About N,N-dimethyl-4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzamide

N,N-dimethyl-4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzamide (PubChem CID 38107131) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzamide
PubChem CID38107131
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC NameN,N-dimethyl-4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H15F3N4O2/c1-21(2)14(24)10-3-5-11(6-4-10)19-13(23)9-22-8-7-12(20-22)15(16,17)18/h3-8H,9H2,1-2H3,(H,19,23)
InChIKeyBCRGWRPZVFODRJ-UHFFFAOYSA-N
XLogP2.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 19530968
N-(4-phenoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2505978
N-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26591497
N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 32604372
N-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9096694
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530768
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530835
N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530808
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-[4-(azepan-1-ylsulfonyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26931166
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 134050686

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzamide (CID 38107131) is N,N-dimethyl-4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzamide is CN(C)C(=O)c1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzamide?
The InChIKey is BCRGWRPZVFODRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-21(2)14(24)10-3-5-11(6-4-10)19-13(23)9-22-8-7-12(20-22)15(16,17)18/h3-8H,9H2,1-2H3,(H,19,23).
What are the key properties of N,N-dimethyl-4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzamide?
N,N-dimethyl-4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzamide has a molecular weight of 340.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 38107131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).