[5-(2,4-difluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone

C14H8F2N2O2 — CID 56834430

IUPAC[5-(2,4-difluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc(F)cc2F)o1)n1cccn1
InChIInChI=1S/C14H8F2N2O2/c15-9-2-3-10(11(16)8-9)12-4-5-13(20-12)14(19)18-7-1-6-17-18/h1-8H
InChIKeyQIQAVNWXJDJYRX-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.11
Rot. Bonds2

About [5-(2,4-difluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone

[5-(2,4-difluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone (PubChem CID 56834430) has the molecular formula C14H8F2N2O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone
PubChem CID56834430
Molecular FormulaC14H8F2N2O2
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name[5-(2,4-difluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc(F)cc2F)o1)n1cccn1
InChIInChI=1S/C14H8F2N2O2/c15-9-2-3-10(11(16)8-9)12-4-5-13(20-12)14(19)18-7-1-6-17-18/h1-8H
InChIKeyQIQAVNWXJDJYRX-UHFFFAOYSA-N
XLogP3.11
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone?
The IUPAC name of [5-(2,4-difluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone (CID 56834430) is [5-(2,4-difluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone.
What is the SMILES notation for [5-(2,4-difluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone?
The canonical SMILES for [5-(2,4-difluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone is O=C(c1ccc(-c2ccc(F)cc2F)o1)n1cccn1.
What is the InChIKey of [5-(2,4-difluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone?
The InChIKey is QIQAVNWXJDJYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O2/c15-9-2-3-10(11(16)8-9)12-4-5-13(20-12)14(19)18-7-1-6-17-18/h1-8H.
What are the key properties of [5-(2,4-difluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone?
[5-(2,4-difluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone has a molecular weight of 274.23 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 56834430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).