N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C14H13ClF3N3O2 — CID 753166

IUPACN-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)cc1Cl
InChIInChI=1S/C14H13ClF3N3O2/c1-8-5-12(14(16,17)18)20-21(8)7-13(22)19-9-3-4-11(23-2)10(15)6-9/h3-6H,7H2,1-2H3,(H,19,22)
InChIKeyZUOKXMSBSIWTLX-UHFFFAOYSA-N
MW347.72 g/mol
LogP3.51
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 753166) has the molecular formula C14H13ClF3N3O2 and a molecular weight of 347.72 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID753166
Molecular FormulaC14H13ClF3N3O2
Molecular Weight347.72 g/mol
Exact Mass347.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)cc1Cl
InChIInChI=1S/C14H13ClF3N3O2/c1-8-5-12(14(16,17)18)20-21(8)7-13(22)19-9-3-4-11(23-2)10(15)6-9/h3-6H,7H2,1-2H3,(H,19,22)
InChIKeyZUOKXMSBSIWTLX-UHFFFAOYSA-N
XLogP3.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.72
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-Chloro-3-methoxy-phenyl)-piperazin-1-yl]-2-(4-chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone
CID 21070989
2-[5-(Aminomethyl)-4-chloro-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 11236656
N-[[4-chloro-2-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyrazol-3-yl]methyl]acetamide
CID 57840380
1-[4-(4-Chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-fluoro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 57840437
2-[4-Chloro-5-[(dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 57840515
1-[4-(4-Chloro-3-methoxyphenyl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 57840556
N-[1-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 57840557
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 8721994
2-amino-N-[1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 68552829
N-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide
CID 2746417
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide
CID 47084046
2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-1-[4-(4-methoxyphenyl)-piperazin-1-yl]-ethanone
CID 21071096

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 753166) is N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is COc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ZUOKXMSBSIWTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O2/c1-8-5-12(14(16,17)18)20-21(8)7-13(22)19-9-3-4-11(23-2)10(15)6-9/h3-6H,7H2,1-2H3,(H,19,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 347.72 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 753166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).