2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide

C23H26FN3O2 — CID 51955758

IUPAC2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C23H26FN3O2/c1-14-6-11-22(29-5)21(12-14)15(2)25-23(28)13-20-16(3)26-27(17(20)4)19-9-7-18(24)8-10-19/h6-12,15H,13H2,1-5H3,(H,25,28)/t15-/m0/s1
InChIKeyNHDQSWJWPGCWCF-HNNXBMFYSA-N
MW395.48 g/mol
LogP4.37
Rot. Bonds6

About 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide

2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide (PubChem CID 51955758) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
PubChem CID51955758
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C23H26FN3O2/c1-14-6-11-22(29-5)21(12-14)15(2)25-23(28)13-20-16(3)26-27(17(20)4)19-9-7-18(24)8-10-19/h6-12,15H,13H2,1-5H3,(H,25,28)/t15-/m0/s1
InChIKeyNHDQSWJWPGCWCF-HNNXBMFYSA-N
XLogP4.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 51956618
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9478159
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51295317
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(2,4-difluorophenyl)ethyl]acetamide
CID 55736862
3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]butanoic acid
CID 119220770
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(1-hydroxypropan-2-yl)acetamide
CID 78884101
(2S)-2-(4-fluorophenoxy)-N'-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]propanehydrazide
CID 51959268
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 33077344
2-(3-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9264320
N-[2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]-2-methylpropanamide
CID 47044914
2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
CID 51955488
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide (CID 51955758) is 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide is COc1ccc(C)cc1[C@H](C)NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C.
What is the InChIKey of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The InChIKey is NHDQSWJWPGCWCF-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-14-6-11-22(29-5)21(12-14)15(2)25-23(28)13-20-16(3)26-27(17(20)4)19-9-7-18(24)8-10-19/h6-12,15H,13H2,1-5H3,(H,25,28)/t15-/m0/s1.
What are the key properties of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide has a molecular weight of 395.48 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 51955758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).