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

C14H13ClF3N3O3 — CID 26877145

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1Cl
InChIInChI=1S/C14H13ClF3N3O3/c1-23-10-6-11(24-2)9(5-8(10)15)19-13(22)7-21-4-3-12(20-21)14(16,17)18/h3-6H,7H2,1-2H3,(H,19,22)
InChIKeyGCFBEUXAHAUGBJ-UHFFFAOYSA-N
MW363.72 g/mol
LogP3.21
Rot. Bonds5

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

N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 26877145) has the molecular formula C14H13ClF3N3O3 and a molecular weight of 363.72 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID26877145
Molecular FormulaC14H13ClF3N3O3
Molecular Weight363.72 g/mol
Exact Mass363.06
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1Cl
InChIInChI=1S/C14H13ClF3N3O3/c1-23-10-6-11(24-2)9(5-8(10)15)19-13(22)7-21-4-3-12(20-21)14(16,17)18/h3-6H,7H2,1-2H3,(H,19,22)
InChIKeyGCFBEUXAHAUGBJ-UHFFFAOYSA-N
XLogP3.21
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.72
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 62102210
N-(4-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26696400
N-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26591497
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18284884
N-[2-(2,2,2-trifluoroethoxy)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 33370581
N-[3-(methoxymethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 33288169
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26265747
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 2525514
2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6902015
N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 81341056
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 26877145) is N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is COc1cc(OC)c(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is GCFBEUXAHAUGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O3/c1-23-10-6-11(24-2)9(5-8(10)15)19-13(22)7-21-4-3-12(20-21)14(16,17)18/h3-6H,7H2,1-2H3,(H,19,22).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 363.72 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 26877145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).