N-[2-(difluoromethoxy)-5-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C14H12F5N3O2 — CID 19530895

IUPACN-[2-(difluoromethoxy)-5-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1ccc(OC(F)F)c(NC(=O)Cn2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C14H12F5N3O2/c1-8-2-3-10(24-13(15)16)9(6-8)20-12(23)7-22-5-4-11(21-22)14(17,18)19/h2-6,13H,7H2,1H3,(H,20,23)
InChIKeyFSEXPVNTLSHCBU-UHFFFAOYSA-N
MW349.26 g/mol
LogP3.45
Rot. Bonds5

About N-[2-(difluoromethoxy)-5-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[2-(difluoromethoxy)-5-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19530895) has the molecular formula C14H12F5N3O2 and a molecular weight of 349.26 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-5-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-5-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19530895
Molecular FormulaC14H12F5N3O2
Molecular Weight349.26 g/mol
Exact Mass349.08
IUPAC NameN-[2-(difluoromethoxy)-5-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1ccc(OC(F)F)c(NC(=O)Cn2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C14H12F5N3O2/c1-8-2-3-10(24-13(15)16)9(6-8)20-12(23)7-22-5-4-11(21-22)14(17,18)19/h2-6,13H,7H2,1H3,(H,20,23)
InChIKeyFSEXPVNTLSHCBU-UHFFFAOYSA-N
XLogP3.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-5-methylphenyl]acetamide
CID 19523438
2-[3-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500233
N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522251
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26877145
1-[3-[2-(difluoromethoxy)-5-methylanilino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470718
N-[2-(difluoromethoxy)-5-methylphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534782
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
CID 35804088
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19517063
N-[2-(2,2,2-trifluoroethoxy)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 33370581
N-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26591497
N-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9096694
N-(4-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26696400

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19530895) is N-[2-(difluoromethoxy)-5-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-5-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[2-(difluoromethoxy)-5-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1ccc(OC(F)F)c(NC(=O)Cn2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-5-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is FSEXPVNTLSHCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F5N3O2/c1-8-2-3-10(24-13(15)16)9(6-8)20-12(23)7-22-5-4-11(21-22)14(17,18)19/h2-6,13H,7H2,1H3,(H,20,23).
What are the key properties of N-[2-(difluoromethoxy)-5-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[2-(difluoromethoxy)-5-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 349.26 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-5-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19530895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).