2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide

C15H15F4N3O — CID 23654832

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H15F4N3O/c1-8-11(9(2)22-21-8)6-14(23)20-7-10-3-4-13(16)12(5-10)15(17,18)19/h3-5H,6-7H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyTXQLBWMUKBVKEC-UHFFFAOYSA-N
MW329.30 g/mol
LogP3.04
Rot. Bonds4

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 23654832) has the molecular formula C15H15F4N3O and a molecular weight of 329.30 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID23654832
Molecular FormulaC15H15F4N3O
Molecular Weight329.30 g/mol
Exact Mass329.12
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H15F4N3O/c1-8-11(9(2)22-21-8)6-14(23)20-7-10-3-4-13(16)12(5-10)15(17,18)19/h3-5H,6-7H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyTXQLBWMUKBVKEC-UHFFFAOYSA-N
XLogP3.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645918
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(1,1,2,2,2-pentafluoroethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645925
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654661
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654663
N-[(3-chlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654747
N-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654751
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 23654752
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654831
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654834
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 44250460
1-(3-(4-Fluorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one
CID 57076369
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-fluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24790850

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide (CID 23654832) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide is Cc1n[nH]c(C)c1CC(=O)NCc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is TXQLBWMUKBVKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O/c1-8-11(9(2)22-21-8)6-14(23)20-7-10-3-4-13(16)12(5-10)15(17,18)19/h3-5H,6-7H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 329.30 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 23654832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).