N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide

C16H16ClF4N3O — CID 25107293

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
SMILESCc1nn(CC(F)(F)F)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C16H16ClF4N3O/c1-9-13(10(2)24(23-9)8-16(19,20)21)6-15(25)22-7-11-3-4-12(18)5-14(11)17/h3-5H,6-8H2,1-2H3,(H,22,25)
InChIKeyIHRSHTGSQRISRX-UHFFFAOYSA-N
MW377.77 g/mol
LogP3.71
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide (PubChem CID 25107293) has the molecular formula C16H16ClF4N3O and a molecular weight of 377.77 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
PubChem CID25107293
Molecular FormulaC16H16ClF4N3O
Molecular Weight377.77 g/mol
Exact Mass377.09
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
SMILESCc1nn(CC(F)(F)F)c(C)c1CC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C16H16ClF4N3O/c1-9-13(10(2)24(23-9)8-16(19,20)21)6-15(25)22-7-11-3-4-12(18)5-14(11)17/h3-5H,6-8H2,1-2H3,(H,22,25)
InChIKeyIHRSHTGSQRISRX-UHFFFAOYSA-N
XLogP3.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.77
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Chloro-4-Fluorobenzyl)-4-[(3,5-Dimethyl-1h-Pyrazol-1-Yl)methyl]benzamide
CID 91820715
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9209741
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9268807
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-[[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-3-(trifluoromethyl)phenyl]methyl]-2-(2,4-dimethylpyrazol-3-yl)acetamide
CID 25011821
n-{[2-Chloro-3-(trifluoromethyl)phenyl]methyl}-2-(4-fluoro-1-methyl-1h-pyrazol-5-yl)acetamide
CID 25061571
N-[(2,4-dichlorophenyl)methyl]-2-(1,4-dimethylpyrazol-5-yl)acetamide
CID 25061573
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106221

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide (CID 25107293) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide is Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
The InChIKey is IHRSHTGSQRISRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF4N3O/c1-9-13(10(2)24(23-9)8-16(19,20)21)6-15(25)22-7-11-3-4-12(18)5-14(11)17/h3-5H,6-8H2,1-2H3,(H,22,25).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide has a molecular weight of 377.77 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 25107293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).