5-(furan-2-yl)-3-phenyl-1H-pyrazole

C13H10N2O — CID 835422

IUPAC5-(furan-2-yl)-3-phenyl-1H-pyrazole
SMILESc1ccc(-c2cc(-c3ccco3)[nH]n2)cc1
InChIInChI=1S/C13H10N2O/c1-2-5-10(6-3-1)11-9-12(15-14-11)13-7-4-8-16-13/h1-9H,(H,14,15)
InChIKeyZXRRQXOVEKCBQB-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.34
Rot. Bonds2

About 5-(furan-2-yl)-3-phenyl-1H-pyrazole

5-(furan-2-yl)-3-phenyl-1H-pyrazole (PubChem CID 835422) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-phenyl-1H-pyrazole
PubChem CID835422
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name5-(furan-2-yl)-3-phenyl-1H-pyrazole
SMILESc1ccc(-c2cc(-c3ccco3)[nH]n2)cc1
InChIInChI=1S/C13H10N2O/c1-2-5-10(6-3-1)11-9-12(15-14-11)13-7-4-8-16-13/h1-9H,(H,14,15)
InChIKeyZXRRQXOVEKCBQB-UHFFFAOYSA-N
XLogP3.34
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-phenyl-1H-pyrazole?
The IUPAC name of 5-(furan-2-yl)-3-phenyl-1H-pyrazole (CID 835422) is 5-(furan-2-yl)-3-phenyl-1H-pyrazole.
What is the SMILES notation for 5-(furan-2-yl)-3-phenyl-1H-pyrazole?
The canonical SMILES for 5-(furan-2-yl)-3-phenyl-1H-pyrazole is c1ccc(-c2cc(-c3ccco3)[nH]n2)cc1.
What is the InChIKey of 5-(furan-2-yl)-3-phenyl-1H-pyrazole?
The InChIKey is ZXRRQXOVEKCBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-2-5-10(6-3-1)11-9-12(15-14-11)13-7-4-8-16-13/h1-9H,(H,14,15).
What are the key properties of 5-(furan-2-yl)-3-phenyl-1H-pyrazole?
5-(furan-2-yl)-3-phenyl-1H-pyrazole has a molecular weight of 210.24 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-phenyl-1H-pyrazole is sourced from PubChem (CID 835422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).