5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-ol

C13H10N2O2 — CID 170556869

IUPAC5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-ol
SMILESOc1c(-c2ccccc2)n[nH]c1-c1ccco1
InChIInChI=1S/C13H10N2O2/c16-13-11(9-5-2-1-3-6-9)14-15-12(13)10-7-4-8-17-10/h1-8,16H,(H,14,15)
InChIKeyYLSFTGALCPMOSN-UHFFFAOYSA-N
MW226.24 g/mol
LogP3.04
Rot. Bonds2

About 5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-ol

5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-ol (PubChem CID 170556869) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-ol.

Molecular Properties

Compound Name5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-ol
PubChem CID170556869
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-ol
SMILESOc1c(-c2ccccc2)n[nH]c1-c1ccco1
InChIInChI=1S/C13H10N2O2/c16-13-11(9-5-2-1-3-6-9)14-15-12(13)10-7-4-8-17-10/h1-8,16H,(H,14,15)
InChIKeyYLSFTGALCPMOSN-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 5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-ol?
The IUPAC name of 5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-ol (CID 170556869) is 5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-ol.
What is the SMILES notation for 5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-ol?
The canonical SMILES for 5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-ol is Oc1c(-c2ccccc2)n[nH]c1-c1ccco1.
What is the InChIKey of 5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-ol?
The InChIKey is YLSFTGALCPMOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13-11(9-5-2-1-3-6-9)14-15-12(13)10-7-4-8-17-10/h1-8,16H,(H,14,15).
What are the key properties of 5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-ol?
5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-ol 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 5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-ol is sourced from PubChem (CID 170556869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).