1-(2,4-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea

C12H12F2N4O — CID 2811437

IUPAC1-(2,4-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(F)cc2F)n(C)n1
InChIInChI=1S/C12H12F2N4O/c1-7-5-11(18(2)17-7)16-12(19)15-10-4-3-8(13)6-9(10)14/h3-6H,1-2H3,(H2,15,16,19)
InChIKeyCZQUDXHNBLSMGY-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.65
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea

1-(2,4-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea (PubChem CID 2811437) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
PubChem CID2811437
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name1-(2,4-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(F)cc2F)n(C)n1
InChIInChI=1S/C12H12F2N4O/c1-7-5-11(18(2)17-7)16-12(19)15-10-4-3-8(13)6-9(10)14/h3-6H,1-2H3,(H2,15,16,19)
InChIKeyCZQUDXHNBLSMGY-UHFFFAOYSA-N
XLogP2.65
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-difluorophenyl)-3-(2,5-dimethylpyrazol-3-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

ML297
CID 56642816
1-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea
CID 446816
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
1-phenyl-3-[1-(propan-2-yl)-1H-pyrazol-5-yl]urea
CID 9361722
1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
CID 2810695
1-(2-Methylpyrazol-3-yl)-3-phenylurea
CID 2808767
3,5-Dimethyl-pyrazole-1-carboxylic acid phenylamide
CID 301738
1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 2380354
N-(2-fluorophenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815489
1-(2-Tert-butyl-5-methylpyrazol-3-yl)-3-phenylurea
CID 2818791
3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 770920
1-(2,4-Difluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
CID 2810118

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea (CID 2811437) is 1-(2,4-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea is Cc1cc(NC(=O)Nc2ccc(F)cc2F)n(C)n1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea?
The InChIKey is CZQUDXHNBLSMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c1-7-5-11(18(2)17-7)16-12(19)15-10-4-3-8(13)6-9(10)14/h3-6H,1-2H3,(H2,15,16,19).
What are the key properties of 1-(2,4-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea?
1-(2,4-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea has a molecular weight of 266.25 g/mol, XLogP of 2.65, 2 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-(2,5-dimethylpyrazol-3-yl)urea is sourced from PubChem (CID 2811437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).