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

C15H16F3N3O3 — CID 753154

IUPACN-(2,5-dimethoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2nc(C(F)(F)F)cc2C)c1
InChIInChI=1S/C15H16F3N3O3/c1-9-6-13(15(16,17)18)20-21(9)8-14(22)19-11-7-10(23-2)4-5-12(11)24-3/h4-7H,8H2,1-3H3,(H,19,22)
InChIKeyDIVWJVAQFGKIRY-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.87
Rot. Bonds5

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

N-(2,5-dimethoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 753154) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID753154
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2nc(C(F)(F)F)cc2C)c1
InChIInChI=1S/C15H16F3N3O3/c1-9-6-13(15(16,17)18)20-21(9)8-14(22)19-11-7-10(23-2)4-5-12(11)24-3/h4-7H,8H2,1-3H3,(H,19,22)
InChIKeyDIVWJVAQFGKIRY-UHFFFAOYSA-N
XLogP2.87
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 753154) is N-(2,5-dimethoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is COc1ccc(OC)c(NC(=O)Cn2nc(C(F)(F)F)cc2C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is DIVWJVAQFGKIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-9-6-13(15(16,17)18)20-21(9)8-14(22)19-11-7-10(23-2)4-5-12(11)24-3/h4-7H,8H2,1-3H3,(H,19,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 343.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 753154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).