N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(2-ethylimidazol-1-yl)propanamide

C20H23F2N5O — CID 72858375

IUPACN-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)NC(C)c1cnn(-c2ccc(F)cc2F)c1C
InChIInChI=1S/C20H23F2N5O/c1-4-19-23-8-10-26(19)9-7-20(28)25-13(2)16-12-24-27(14(16)3)18-6-5-15(21)11-17(18)22/h5-6,8,10-13H,4,7,9H2,1-3H3,(H,25,28)
InChIKeyHIGHJDKBWSUHNI-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.49
Rot. Bonds7

About N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(2-ethylimidazol-1-yl)propanamide

N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(2-ethylimidazol-1-yl)propanamide (PubChem CID 72858375) has the molecular formula C20H23F2N5O and a molecular weight of 387.43 g/mol. Its IUPAC name is N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(2-ethylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(2-ethylimidazol-1-yl)propanamide
PubChem CID72858375
Molecular FormulaC20H23F2N5O
Molecular Weight387.43 g/mol
Exact Mass387.19
IUPAC NameN-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)NC(C)c1cnn(-c2ccc(F)cc2F)c1C
InChIInChI=1S/C20H23F2N5O/c1-4-19-23-8-10-26(19)9-7-20(28)25-13(2)16-12-24-27(14(16)3)18-6-5-15(21)11-17(18)22/h5-6,8,10-13H,4,7,9H2,1-3H3,(H,25,28)
InChIKeyHIGHJDKBWSUHNI-UHFFFAOYSA-N
XLogP3.49
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 97123914
N-[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 97130620
2-(2-ethylimidazol-1-yl)-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]acetamide
CID 97149895
4-[[[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-2,6-dimethylphenol
CID 25477171
N-[(1R)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclopentanamine
CID 25450844
(2R)-2-[3-(2-ethylimidazol-1-yl)propanoylamino]butanoic acid
CID 126445443
N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]cyclohexanamine
CID 45208565
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 99974495
1-[3-[[[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]phenyl]ethanone
CID 25365387
1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 45238024
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55592890
2-[[[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-6-ethoxyphenol
CID 25282901

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(2-ethylimidazol-1-yl)propanamide?
The IUPAC name of N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(2-ethylimidazol-1-yl)propanamide (CID 72858375) is N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(2-ethylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(2-ethylimidazol-1-yl)propanamide?
The canonical SMILES for N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(2-ethylimidazol-1-yl)propanamide is CCc1nccn1CCC(=O)NC(C)c1cnn(-c2ccc(F)cc2F)c1C.
What is the InChIKey of N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(2-ethylimidazol-1-yl)propanamide?
The InChIKey is HIGHJDKBWSUHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5O/c1-4-19-23-8-10-26(19)9-7-20(28)25-13(2)16-12-24-27(14(16)3)18-6-5-15(21)11-17(18)22/h5-6,8,10-13H,4,7,9H2,1-3H3,(H,25,28).
What are the key properties of N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(2-ethylimidazol-1-yl)propanamide?
N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(2-ethylimidazol-1-yl)propanamide has a molecular weight of 387.43 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(2-ethylimidazol-1-yl)propanamide is sourced from PubChem (CID 72858375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).