2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]acetamide

C23H25F2N3O2 — CID 95786318

IUPAC2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]acetamide
SMILESCOC[C@H](Cc1ccccc1)NC(=O)Cc1c(C)nn(-c2ccc(F)cc2F)c1C
InChIInChI=1S/C23H25F2N3O2/c1-15-20(16(2)28(27-15)22-10-9-18(24)12-21(22)25)13-23(29)26-19(14-30-3)11-17-7-5-4-6-8-17/h4-10,12,19H,11,13-14H2,1-3H3,(H,26,29)/t19-/m0/s1
InChIKeyUJGPBPCJBYGPPZ-IBGZPJMESA-N
MW413.47 g/mol
LogP3.68
Rot. Bonds8

About 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]acetamide

2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]acetamide (PubChem CID 95786318) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]acetamide
PubChem CID95786318
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC Name2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]acetamide
SMILESCOC[C@H](Cc1ccccc1)NC(=O)Cc1c(C)nn(-c2ccc(F)cc2F)c1C
InChIInChI=1S/C23H25F2N3O2/c1-15-20(16(2)28(27-15)22-10-9-18(24)12-21(22)25)13-23(29)26-19(14-30-3)11-17-7-5-4-6-8-17/h4-10,12,19H,11,13-14H2,1-3H3,(H,26,29)/t19-/m0/s1
InChIKeyUJGPBPCJBYGPPZ-IBGZPJMESA-N
XLogP3.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
CID 51955488
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18200432
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(2,4-difluorophenyl)ethyl]acetamide
CID 55736862
2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propanoic acid
CID 122036899
2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone
CID 56814833
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-phenylbut-3-ynyl]acetamide
CID 97065618
[3-[[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol
CID 119123752
N-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55581907
N-[2-(diethylamino)-3-phenylpropyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 60509527
3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]butanoic acid
CID 119220770
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9377721
N-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 120506491

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]acetamide?
The IUPAC name of 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]acetamide (CID 95786318) is 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]acetamide is COC[C@H](Cc1ccccc1)NC(=O)Cc1c(C)nn(-c2ccc(F)cc2F)c1C.
What is the InChIKey of 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]acetamide?
The InChIKey is UJGPBPCJBYGPPZ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25F2N3O2/c1-15-20(16(2)28(27-15)22-10-9-18(24)12-21(22)25)13-23(29)26-19(14-30-3)11-17-7-5-4-6-8-17/h4-10,12,19H,11,13-14H2,1-3H3,(H,26,29)/t19-/m0/s1.
What are the key properties of 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]acetamide?
2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]acetamide has a molecular weight of 413.47 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 95786318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).