1-(2,5-dimethylpyrazol-3-yl)-3-(5-fluoro-2-methylphenyl)urea

C13H15FN4O — CID 2811730

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-(5-fluoro-2-methylphenyl)urea
SMILESCc1cc(NC(=O)Nc2cc(F)ccc2C)n(C)n1
InChIInChI=1S/C13H15FN4O/c1-8-4-5-10(14)7-11(8)15-13(19)16-12-6-9(2)17-18(12)3/h4-7H,1-3H3,(H2,15,16,19)
InChIKeyUVBFLJOLCLLFSM-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.82
Rot. Bonds2

About 1-(2,5-dimethylpyrazol-3-yl)-3-(5-fluoro-2-methylphenyl)urea

1-(2,5-dimethylpyrazol-3-yl)-3-(5-fluoro-2-methylphenyl)urea (PubChem CID 2811730) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-(5-fluoro-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-(5-fluoro-2-methylphenyl)urea
PubChem CID2811730
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-(5-fluoro-2-methylphenyl)urea
SMILESCc1cc(NC(=O)Nc2cc(F)ccc2C)n(C)n1
InChIInChI=1S/C13H15FN4O/c1-8-4-5-10(14)7-11(8)15-13(19)16-12-6-9(2)17-18(12)3/h4-7H,1-3H3,(H2,15,16,19)
InChIKeyUVBFLJOLCLLFSM-UHFFFAOYSA-N
XLogP2.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 769146
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CID 775688
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CID 517779
CID 517779
CID 135459218
CID 135459218
CID 2810116
CID 2810116
CID 2810695
CID 2810695
CID 10871761
CID 10871761
CID 2808767
CID 2808767
CID 2811755
CID 2811755
CID 2815275
CID 2815275

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(5-fluoro-2-methylphenyl)urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(5-fluoro-2-methylphenyl)urea (CID 2811730) is 1-(2,5-dimethylpyrazol-3-yl)-3-(5-fluoro-2-methylphenyl)urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-(5-fluoro-2-methylphenyl)urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-(5-fluoro-2-methylphenyl)urea is Cc1cc(NC(=O)Nc2cc(F)ccc2C)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-(5-fluoro-2-methylphenyl)urea?
The InChIKey is UVBFLJOLCLLFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-8-4-5-10(14)7-11(8)15-13(19)16-12-6-9(2)17-18(12)3/h4-7H,1-3H3,(H2,15,16,19).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-(5-fluoro-2-methylphenyl)urea?
1-(2,5-dimethylpyrazol-3-yl)-3-(5-fluoro-2-methylphenyl)urea has a molecular weight of 262.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-(5-fluoro-2-methylphenyl)urea is sourced from PubChem (CID 2811730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).