4-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methylphenol

C14H14N2O2 — CID 135540909

IUPAC4-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methylphenol
SMILESCc1cc(C2=NNC(c3ccco3)C2)ccc1O
InChIInChI=1S/C14H14N2O2/c1-9-7-10(4-5-13(9)17)11-8-12(16-15-11)14-3-2-6-18-14/h2-7,12,16-17H,8H2,1H3
InChIKeySFBRWIQPSLUAHC-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.73
Rot. Bonds2

About 4-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methylphenol

4-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methylphenol (PubChem CID 135540909) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methylphenol
PubChem CID135540909
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methylphenol
SMILESCc1cc(C2=NNC(c3ccco3)C2)ccc1O
InChIInChI=1S/C14H14N2O2/c1-9-7-10(4-5-13(9)17)11-8-12(16-15-11)14-3-2-6-18-14/h2-7,12,16-17H,8H2,1H3
InChIKeySFBRWIQPSLUAHC-UHFFFAOYSA-N
XLogP2.73
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methylphenol?
The IUPAC name of 4-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methylphenol (CID 135540909) is 4-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methylphenol.
What is the SMILES notation for 4-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methylphenol?
The canonical SMILES for 4-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methylphenol is Cc1cc(C2=NNC(c3ccco3)C2)ccc1O.
What is the InChIKey of 4-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methylphenol?
The InChIKey is SFBRWIQPSLUAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-7-10(4-5-13(9)17)11-8-12(16-15-11)14-3-2-6-18-14/h2-7,12,16-17H,8H2,1H3.
What are the key properties of 4-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methylphenol?
4-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methylphenol has a molecular weight of 242.28 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2-methylphenol is sourced from PubChem (CID 135540909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).