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

C15H15ClF3N3O3 — CID 1113746

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cc1OC
InChIInChI=1S/C15H15ClF3N3O3/c1-8-13(16)14(15(17,18)19)21-22(8)7-12(23)20-9-4-5-10(24-2)11(6-9)25-3/h4-6H,7H2,1-3H3,(H,20,23)
InChIKeyLVHOQLTXJBVHGF-UHFFFAOYSA-N
MW377.75 g/mol
LogP3.52
Rot. Bonds5

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

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 1113746) has the molecular formula C15H15ClF3N3O3 and a molecular weight of 377.75 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID1113746
Molecular FormulaC15H15ClF3N3O3
Molecular Weight377.75 g/mol
Exact Mass377.08
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cc1OC
InChIInChI=1S/C15H15ClF3N3O3/c1-8-13(16)14(15(17,18)19)21-22(8)7-12(23)20-9-4-5-10(24-2)11(6-9)25-3/h4-6H,7H2,1-3H3,(H,20,23)
InChIKeyLVHOQLTXJBVHGF-UHFFFAOYSA-N
XLogP3.52
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.75
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide (CID 1113746) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cc1OC.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is LVHOQLTXJBVHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O3/c1-8-13(16)14(15(17,18)19)21-22(8)7-12(23)20-9-4-5-10(24-2)11(6-9)25-3/h4-6H,7H2,1-3H3,(H,20,23).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 377.75 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 1113746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).