furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone

C16H12N2O2 — CID 42633899

IUPACfuran-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone
SMILESO=C(c1ccco1)n1ccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C16H12N2O2/c19-16(15-7-4-12-20-15)18-11-10-14(17-18)9-8-13-5-2-1-3-6-13/h1-12H/b9-8+
InChIKeyRJIRFAMLFFONTM-CMDGGOBGSA-N
MW264.28 g/mol
LogP3.34
Rot. Bonds3

About furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone

furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone (PubChem CID 42633899) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone
PubChem CID42633899
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Namefuran-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone
SMILESO=C(c1ccco1)n1ccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C16H12N2O2/c19-16(15-7-4-12-20-15)18-11-10-14(17-18)9-8-13-5-2-1-3-6-13/h1-12H/b9-8+
InChIKeyRJIRFAMLFFONTM-CMDGGOBGSA-N
XLogP3.34
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone 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 furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?
The IUPAC name of furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone (CID 42633899) is furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?
The canonical SMILES for furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone is O=C(c1ccco1)n1ccc(/C=C/c2ccccc2)n1.
What is the InChIKey of furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?
The InChIKey is RJIRFAMLFFONTM-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-16(15-7-4-12-20-15)18-11-10-14(17-18)9-8-13-5-2-1-3-6-13/h1-12H/b9-8+.
What are the key properties of furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?
furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone has a molecular weight of 264.28 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone is sourced from PubChem (CID 42633899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).