[5-(2-fluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone

C14H9FN2O2 — CID 56834427

IUPAC[5-(2-fluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone
SMILESO=C(c1ccc(-c2ccccc2F)o1)n1cccn1
InChIInChI=1S/C14H9FN2O2/c15-11-5-2-1-4-10(11)12-6-7-13(19-12)14(18)17-9-3-8-16-17/h1-9H
InChIKeyUWDGCZQCYQWTFP-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.97
Rot. Bonds2

About [5-(2-fluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone

[5-(2-fluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone (PubChem CID 56834427) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is [5-(2-fluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone
PubChem CID56834427
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name[5-(2-fluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone
SMILESO=C(c1ccc(-c2ccccc2F)o1)n1cccn1
InChIInChI=1S/C14H9FN2O2/c15-11-5-2-1-4-10(11)12-6-7-13(19-12)14(18)17-9-3-8-16-17/h1-9H
InChIKeyUWDGCZQCYQWTFP-UHFFFAOYSA-N
XLogP2.97
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone?
The IUPAC name of [5-(2-fluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone (CID 56834427) is [5-(2-fluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone.
What is the SMILES notation for [5-(2-fluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone?
The canonical SMILES for [5-(2-fluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone is O=C(c1ccc(-c2ccccc2F)o1)n1cccn1.
What is the InChIKey of [5-(2-fluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone?
The InChIKey is UWDGCZQCYQWTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-11-5-2-1-4-10(11)12-6-7-13(19-12)14(18)17-9-3-8-16-17/h1-9H.
What are the key properties of [5-(2-fluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone?
[5-(2-fluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone has a molecular weight of 256.24 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 56834427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).