1-(2,4-difluorophenyl)-3-(1,3-diphenylpyrazol-4-yl)urea

C22H16F2N4O — CID 2811284

IUPAC1-(2,4-difluorophenyl)-3-(1,3-diphenylpyrazol-4-yl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H16F2N4O/c23-16-11-12-19(18(24)13-16)25-22(29)26-20-14-28(17-9-5-2-6-10-17)27-21(20)15-7-3-1-4-8-15/h1-14H,(H2,25,26,29)
InChIKeyADTYBRNDLDLEDX-UHFFFAOYSA-N
MW390.39 g/mol
LogP5.46
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-(1,3-diphenylpyrazol-4-yl)urea

1-(2,4-difluorophenyl)-3-(1,3-diphenylpyrazol-4-yl)urea (PubChem CID 2811284) has the molecular formula C22H16F2N4O and a molecular weight of 390.39 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(1,3-diphenylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(1,3-diphenylpyrazol-4-yl)urea
PubChem CID2811284
Molecular FormulaC22H16F2N4O
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Name1-(2,4-difluorophenyl)-3-(1,3-diphenylpyrazol-4-yl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H16F2N4O/c23-16-11-12-19(18(24)13-16)25-22(29)26-20-14-28(17-9-5-2-6-10-17)27-21(20)15-7-3-1-4-8-15/h1-14H,(H2,25,26,29)
InChIKeyADTYBRNDLDLEDX-UHFFFAOYSA-N
XLogP5.46
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-difluorophenyl)-3-(1,3-diphenylpyrazol-4-yl)urea 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

Rgfp966
CID 56650312
N-phenyl-N'-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea
CID 2812808
1-(4-Fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea
CID 2807997
1-[3,5-di(pyrazol-1-yl)phenyl]-3-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]urea
CID 44455846
7-[[2-(2,5-difluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
CID 54671062
N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 2807796
N-(3,5-dimethylphenyl)-N'-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea
CID 2812810
5-[4-(4-methylpiperazino)phenyl]-N-phenyl-1H-pyrazole-1-carboxamide
CID 4264966
1-Benzyl-1-[3-(2H-pyrazol-3-yl)-benzyl]-3-(2,4,6-trifluoro-phenyl)-urea
CID 9954688
1-[[4-(dimethylamino)phenyl]methyl]-1-[[3-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2,4,6-trifluorophenyl)urea
CID 10838397
1-[3,5-di(pyrazol-1-yl)phenyl]-3-[3-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 44455847
7-(2-(2,5-difluorophenyl)pyridin-4-ylamino)-N-ethyl-1H-pyrazolo[4,3-b]pyridine-1-carboxamide
CID 54670783

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(1,3-diphenylpyrazol-4-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(1,3-diphenylpyrazol-4-yl)urea (CID 2811284) is 1-(2,4-difluorophenyl)-3-(1,3-diphenylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(1,3-diphenylpyrazol-4-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(1,3-diphenylpyrazol-4-yl)urea is O=C(Nc1ccc(F)cc1F)Nc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(1,3-diphenylpyrazol-4-yl)urea?
The InChIKey is ADTYBRNDLDLEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O/c23-16-11-12-19(18(24)13-16)25-22(29)26-20-14-28(17-9-5-2-6-10-17)27-21(20)15-7-3-1-4-8-15/h1-14H,(H2,25,26,29).
What are the key properties of 1-(2,4-difluorophenyl)-3-(1,3-diphenylpyrazol-4-yl)urea?
1-(2,4-difluorophenyl)-3-(1,3-diphenylpyrazol-4-yl)urea has a molecular weight of 390.39 g/mol, XLogP of 5.46, 4 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-(1,3-diphenylpyrazol-4-yl)urea is sourced from PubChem (CID 2811284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).