1-(2,4-difluorophenyl)-3-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]urea

C22H24F2N4O2 — CID 119036413

IUPAC1-(2,4-difluorophenyl)-3-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]urea
SMILESCCC1=NN(Cc2ccccc2C)C(=O)C1CCNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C22H24F2N4O2/c1-3-19-17(21(29)28(27-19)13-15-7-5-4-6-14(15)2)10-11-25-22(30)26-20-9-8-16(23)12-18(20)24/h4-9,12,17H,3,10-11,13H2,1-2H3,(H2,25,26,30)
InChIKeyIBOXIHDPAJIWKW-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.21
Rot. Bonds7

About 1-(2,4-difluorophenyl)-3-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]urea

1-(2,4-difluorophenyl)-3-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]urea (PubChem CID 119036413) has the molecular formula C22H24F2N4O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]urea
PubChem CID119036413
Molecular FormulaC22H24F2N4O2
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name1-(2,4-difluorophenyl)-3-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]urea
SMILESCCC1=NN(Cc2ccccc2C)C(=O)C1CCNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C22H24F2N4O2/c1-3-19-17(21(29)28(27-19)13-15-7-5-4-6-14(15)2)10-11-25-22(30)26-20-9-8-16(23)12-18(20)24/h4-9,12,17H,3,10-11,13H2,1-2H3,(H2,25,26,30)
InChIKeyIBOXIHDPAJIWKW-UHFFFAOYSA-N
XLogP4.21
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969888
1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 108991584
N-(2,4-difluorophenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671220
2-(2,4-difluoroanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 108996706
1-(2,4-difluorophenyl)-3-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethyl]urea
CID 2741951
N-(2,4-difluorophenyl)-1-ethyl-5-oxo-3-phenyl-4H-pyrazole-4-carboxamide
CID 167845210
1-(2,4-difluorophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 46287063
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-(2,4-difluorophenyl)-3-[2-[(6-methylpyridazin-3-yl)amino]ethyl]urea
CID 56700309
N-(2,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004326
1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
CID 47085409
1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
CID 15989563

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]urea (CID 119036413) is 1-(2,4-difluorophenyl)-3-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]urea is CCC1=NN(Cc2ccccc2C)C(=O)C1CCNC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]urea?
The InChIKey is IBOXIHDPAJIWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O2/c1-3-19-17(21(29)28(27-19)13-15-7-5-4-6-14(15)2)10-11-25-22(30)26-20-9-8-16(23)12-18(20)24/h4-9,12,17H,3,10-11,13H2,1-2H3,(H2,25,26,30).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]urea?
1-(2,4-difluorophenyl)-3-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]urea has a molecular weight of 414.46 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[2-[3-ethyl-1-[(2-methylphenyl)methyl]-5-oxo-4H-pyrazol-4-yl]ethyl]urea is sourced from PubChem (CID 119036413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).