N-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide

C21H23F2N5O — CID 55581907

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1cc(C)nc(-n2nc(C)c(CC(=O)NC(C)c3ccc(F)cc3F)c2C)n1
InChIInChI=1S/C21H23F2N5O/c1-11-8-12(2)25-21(24-11)28-15(5)18(14(4)27-28)10-20(29)26-13(3)17-7-6-16(22)9-19(17)23/h6-9,13H,10H2,1-5H3,(H,26,29)
InChIKeyFTBZVSMWIIQJCP-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.59
Rot. Bonds5

About N-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide

N-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 55581907) has the molecular formula C21H23F2N5O and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID55581907
Molecular FormulaC21H23F2N5O
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1cc(C)nc(-n2nc(C)c(CC(=O)NC(C)c3ccc(F)cc3F)c2C)n1
InChIInChI=1S/C21H23F2N5O/c1-11-8-12(2)25-21(24-11)28-15(5)18(14(4)27-28)10-20(29)26-13(3)17-7-6-16(22)9-19(17)23/h6-9,13H,10H2,1-5H3,(H,26,29)
InChIKeyFTBZVSMWIIQJCP-UHFFFAOYSA-N
XLogP3.59
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
CID 51955488
2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 119211776
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 31956505
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide
CID 99792583
N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 51956618
N-[2-(diethylamino)propyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55675692
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 51955758
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(1-hydroxypropan-2-yl)acetamide
CID 78884101
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
2-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propan-2-ylbenzamide
CID 55672775
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 55581907) is N-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1cc(C)nc(-n2nc(C)c(CC(=O)NC(C)c3ccc(F)cc3F)c2C)n1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is FTBZVSMWIIQJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O/c1-11-8-12(2)25-21(24-11)28-15(5)18(14(4)27-28)10-20(29)26-13(3)17-7-6-16(22)9-19(17)23/h6-9,13H,10H2,1-5H3,(H,26,29).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 399.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 55581907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).