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

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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).