2-(4-fluorophenyl)-1-[4-[2-(furan-2-yl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone

C17H13FN2O3 — CID 58091057

IUPAC2-(4-fluorophenyl)-1-[4-[2-(furan-2-yl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone
SMILESO=C(Cc1cn[nH]c1C(=O)Cc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C17H13FN2O3/c18-13-5-3-11(4-6-13)8-15(22)17-12(10-19-20-17)9-14(21)16-2-1-7-23-16/h1-7,10H,8-9H2,(H,19,20)
InChIKeyQHMMIXBEBYUQIN-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.99
Rot. Bonds6

About 2-(4-fluorophenyl)-1-[4-[2-(furan-2-yl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone

2-(4-fluorophenyl)-1-[4-[2-(furan-2-yl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone (PubChem CID 58091057) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[2-(furan-2-yl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-[2-(furan-2-yl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone
PubChem CID58091057
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name2-(4-fluorophenyl)-1-[4-[2-(furan-2-yl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone
SMILESO=C(Cc1cn[nH]c1C(=O)Cc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C17H13FN2O3/c18-13-5-3-11(4-6-13)8-15(22)17-12(10-19-20-17)9-14(21)16-2-1-7-23-16/h1-7,10H,8-9H2,(H,19,20)
InChIKeyQHMMIXBEBYUQIN-UHFFFAOYSA-N
XLogP2.99
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-1-[4-[2-(furan-2-yl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-[2-(furan-2-yl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-[2-(furan-2-yl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone (CID 58091057) is 2-(4-fluorophenyl)-1-[4-[2-(furan-2-yl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-[2-(furan-2-yl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-[2-(furan-2-yl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone is O=C(Cc1cn[nH]c1C(=O)Cc1ccc(F)cc1)c1ccco1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-[2-(furan-2-yl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone?
The InChIKey is QHMMIXBEBYUQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c18-13-5-3-11(4-6-13)8-15(22)17-12(10-19-20-17)9-14(21)16-2-1-7-23-16/h1-7,10H,8-9H2,(H,19,20).
What are the key properties of 2-(4-fluorophenyl)-1-[4-[2-(furan-2-yl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone?
2-(4-fluorophenyl)-1-[4-[2-(furan-2-yl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone has a molecular weight of 312.30 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-[2-(furan-2-yl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone is sourced from PubChem (CID 58091057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).