2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide

C21H20F3N3O — CID 51955488

IUPAC2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)N[C@H](C)c1ccccc1F
InChIInChI=1S/C21H20F3N3O/c1-12(16-6-4-5-7-18(16)23)25-21(28)11-17-13(2)26-27(14(17)3)20-9-8-15(22)10-19(20)24/h4-10,12H,11H2,1-3H3,(H,25,28)/t12-/m1/s1
InChIKeyMSMJUUORRMBGQR-GFCCVEGCSA-N
MW387.41 g/mol
LogP4.33
Rot. Bonds5

About 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide

2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide (PubChem CID 51955488) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
PubChem CID51955488
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)N[C@H](C)c1ccccc1F
InChIInChI=1S/C21H20F3N3O/c1-12(16-6-4-5-7-18(16)23)25-21(28)11-17-13(2)26-27(14(17)3)20-9-8-15(22)10-19(20)24/h4-10,12H,11H2,1-3H3,(H,25,28)/t12-/m1/s1
InChIKeyMSMJUUORRMBGQR-GFCCVEGCSA-N
XLogP4.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55581907
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]-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]acetamide
CID 95786318
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18200432
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 51955758
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
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
2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propanoic acid
CID 122036899
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-phenylbut-3-ynyl]acetamide
CID 97065618
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 33077344

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide (CID 51955488) is 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide is Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)N[C@H](C)c1ccccc1F.
What is the InChIKey of 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide?
The InChIKey is MSMJUUORRMBGQR-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H20F3N3O/c1-12(16-6-4-5-7-18(16)23)25-21(28)11-17-13(2)26-27(14(17)3)20-9-8-15(22)10-19(20)24/h4-10,12H,11H2,1-3H3,(H,25,28)/t12-/m1/s1.
What are the key properties of 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide?
2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide has a molecular weight of 387.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 51955488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).