furan-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

C14H12N2O2 — CID 3078481

IUPACfuran-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(c1ccco1)N1N=CCC1c1ccccc1
InChIInChI=1S/C14H12N2O2/c17-14(13-7-4-10-18-13)16-12(8-9-15-16)11-5-2-1-3-6-11/h1-7,9-10,12H,8H2
InChIKeyADDVAAPVTQYGAM-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.85
Rot. Bonds2

About furan-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

furan-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 3078481) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is furan-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
PubChem CID3078481
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Namefuran-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(c1ccco1)N1N=CCC1c1ccccc1
InChIInChI=1S/C14H12N2O2/c17-14(13-7-4-10-18-13)16-12(8-9-15-16)11-5-2-1-3-6-11/h1-7,9-10,12H,8H2
InChIKeyADDVAAPVTQYGAM-UHFFFAOYSA-N
XLogP2.85
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of furan-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (CID 3078481) is furan-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for furan-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for furan-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is O=C(c1ccco1)N1N=CCC1c1ccccc1.
What is the InChIKey of furan-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is ADDVAAPVTQYGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-14(13-7-4-10-18-13)16-12(8-9-15-16)11-5-2-1-3-6-11/h1-7,9-10,12H,8H2.
What are the key properties of furan-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
furan-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 240.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 3078481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).