1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-methylpyrazol-3-yl)urea

C15H13FN4O2 — CID 86799796

IUPAC1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-methylpyrazol-3-yl)urea
SMILESCn1ccc(NC(=O)Nc2cc(-c3ccco3)ccc2F)n1
InChIInChI=1S/C15H13FN4O2/c1-20-7-6-14(19-20)18-15(21)17-12-9-10(4-5-11(12)16)13-3-2-8-22-13/h2-9H,1H3,(H2,17,18,19,21)
InChIKeyFXYFNZMMCZGSJU-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.46
Rot. Bonds3

About 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-methylpyrazol-3-yl)urea

1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-methylpyrazol-3-yl)urea (PubChem CID 86799796) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-methylpyrazol-3-yl)urea
PubChem CID86799796
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-methylpyrazol-3-yl)urea
SMILESCn1ccc(NC(=O)Nc2cc(-c3ccco3)ccc2F)n1
InChIInChI=1S/C15H13FN4O2/c1-20-7-6-14(19-20)18-15(21)17-12-9-10(4-5-11(12)16)13-3-2-8-22-13/h2-9H,1H3,(H2,17,18,19,21)
InChIKeyFXYFNZMMCZGSJU-UHFFFAOYSA-N
XLogP3.46
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-methylpyrazol-3-yl)urea (CID 86799796) is 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-methylpyrazol-3-yl)urea is Cn1ccc(NC(=O)Nc2cc(-c3ccco3)ccc2F)n1.
What is the InChIKey of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is FXYFNZMMCZGSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-20-7-6-14(19-20)18-15(21)17-12-9-10(4-5-11(12)16)13-3-2-8-22-13/h2-9H,1H3,(H2,17,18,19,21).
What are the key properties of 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-methylpyrazol-3-yl)urea?
1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 300.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(furan-2-yl)phenyl]-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 86799796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).