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

C15H14F5N3O3 — CID 19519269

IUPACN-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C)ccc1OC(F)F
InChIInChI=1S/C15H14F5N3O3/c1-8-5-12(15(18,19)20)22-23(8)7-13(24)21-9-3-4-10(26-14(16)17)11(6-9)25-2/h3-6,14H,7H2,1-2H3,(H,21,24)
InChIKeyBSURXGQEXBNTGH-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.46
Rot. Bonds6

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

N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19519269) has the molecular formula C15H14F5N3O3 and a molecular weight of 379.29 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19519269
Molecular FormulaC15H14F5N3O3
Molecular Weight379.29 g/mol
Exact Mass379.10
IUPAC NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C)ccc1OC(F)F
InChIInChI=1S/C15H14F5N3O3/c1-8-5-12(15(18,19)20)22-23(8)7-13(24)21-9-3-4-10(26-14(16)17)11(6-9)25-2/h3-6,14H,7H2,1-2H3,(H,21,24)
InChIKeyBSURXGQEXBNTGH-UHFFFAOYSA-N
XLogP3.46
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519176
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19522005
2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide
CID 19524111
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522617
2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide
CID 19524724
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521910
N-[(2-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 3662930
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 139003029
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
CID 19561563
N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 46969513
N-(3,4-dimethoxyphenyl)-1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 5299210
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519175

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19519269) is N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is COc1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C)ccc1OC(F)F.
What is the InChIKey of N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is BSURXGQEXBNTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F5N3O3/c1-8-5-12(15(18,19)20)22-23(8)7-13(24)21-9-3-4-10(26-14(16)17)11(6-9)25-2/h3-6,14H,7H2,1-2H3,(H,21,24).
What are the key properties of N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 379.29 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19519269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).