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

C14H12N2O2 — CID 617642

IUPAC2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-methylphenol
SMILESCc1ccc(-c2cc(-c3ccco3)[nH]n2)c(O)c1
InChIInChI=1S/C14H12N2O2/c1-9-4-5-10(13(17)7-9)11-8-12(16-15-11)14-3-2-6-18-14/h2-8,17H,1H3,(H,15,16)
InChIKeyLEWSVQSWSIMUQH-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.35
Rot. Bonds2

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

2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-methylphenol (PubChem CID 617642) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-methylphenol.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-methylphenol
PubChem CID617642
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-methylphenol
SMILESCc1ccc(-c2cc(-c3ccco3)[nH]n2)c(O)c1
InChIInChI=1S/C14H12N2O2/c1-9-4-5-10(13(17)7-9)11-8-12(16-15-11)14-3-2-6-18-14/h2-8,17H,1H3,(H,15,16)
InChIKeyLEWSVQSWSIMUQH-UHFFFAOYSA-N
XLogP3.35
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.35
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]-5-methylphenol?
The IUPAC name of 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-methylphenol (CID 617642) is 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-methylphenol.
What is the SMILES notation for 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-methylphenol?
The canonical SMILES for 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-methylphenol is Cc1ccc(-c2cc(-c3ccco3)[nH]n2)c(O)c1.
What is the InChIKey of 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-methylphenol?
The InChIKey is LEWSVQSWSIMUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-4-5-10(13(17)7-9)11-8-12(16-15-11)14-3-2-6-18-14/h2-8,17H,1H3,(H,15,16).
What are the key properties of 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-methylphenol?
2-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-methylphenol has a molecular weight of 240.26 g/mol, XLogP of 3.35, 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]-5-methylphenol is sourced from PubChem (CID 617642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).