N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

C15H14F5N3O — CID 75518631

IUPACN-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC(c2c(F)cccc2F)C(F)(F)F)n1
InChIInChI=1S/C15H14F5N3O/c1-8-6-9(2)23(22-8)7-12(24)21-14(15(18,19)20)13-10(16)4-3-5-11(13)17/h3-6,14H,7H2,1-2H3,(H,21,24)
InChIKeyGIAZXWCYUZUKRM-UHFFFAOYSA-N
MW347.29 g/mol
LogP3.20
Rot. Bonds4

About N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 75518631) has the molecular formula C15H14F5N3O and a molecular weight of 347.29 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID75518631
Molecular FormulaC15H14F5N3O
Molecular Weight347.29 g/mol
Exact Mass347.11
IUPAC NameN-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC(c2c(F)cccc2F)C(F)(F)F)n1
InChIInChI=1S/C15H14F5N3O/c1-8-6-9(2)23(22-8)7-12(24)21-14(15(18,19)20)13-10(16)4-3-5-11(13)17/h3-6,14H,7H2,1-2H3,(H,21,24)
InChIKeyGIAZXWCYUZUKRM-UHFFFAOYSA-N
XLogP3.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55658900
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
CID 43648205
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]butanoic acid
CID 43648238
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43648215
(2R)-2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 79011206
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 43648199
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 7447508
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-fluoro-1-benzothiophene-2-carbohydrazide
CID 51193400
N-(2,2-difluoro-3-hydroxypropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 113462775
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 43431779
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 110278380

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 75518631) is N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)NC(c2c(F)cccc2F)C(F)(F)F)n1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is GIAZXWCYUZUKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F5N3O/c1-8-6-9(2)23(22-8)7-12(24)21-14(15(18,19)20)13-10(16)4-3-5-11(13)17/h3-6,14H,7H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 347.29 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 75518631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).