2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol

C13H10N2O2 — CID 614686

IUPAC2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C13H10N2O2/c16-12-5-2-1-4-9(12)10-8-11(15-14-10)13-6-3-7-17-13/h1-8,16H,(H,14,15)
InChIKeyVNCRDZGBWFUPGH-UHFFFAOYSA-N
MW226.24 g/mol
LogP3.04
Rot. Bonds2

About 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol

2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol (PubChem CID 614686) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol
PubChem CID614686
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C13H10N2O2/c16-12-5-2-1-4-9(12)10-8-11(15-14-10)13-6-3-7-17-13/h1-8,16H,(H,14,15)
InChIKeyVNCRDZGBWFUPGH-UHFFFAOYSA-N
XLogP3.04
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol (CID 614686) is 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol is Oc1ccccc1-c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol?
The InChIKey is VNCRDZGBWFUPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-12-5-2-1-4-9(12)10-8-11(15-14-10)13-6-3-7-17-13/h1-8,16H,(H,14,15).
What are the key properties of 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol?
2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol has a molecular weight of 226.24 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 614686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).