4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol

C13H11FN2OS — CID 3767717

IUPAC4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
SMILESOc1ccc(F)cc1C1=NNC(c2cccs2)C1
InChIInChI=1S/C13H11FN2OS/c14-8-3-4-12(17)9(6-8)10-7-11(16-15-10)13-2-1-5-18-13/h1-6,11,16-17H,7H2
InChIKeyHHSPIRCQQSDQRU-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.03
Rot. Bonds2

About 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol

4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol (PubChem CID 3767717) has the molecular formula C13H11FN2OS and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
PubChem CID3767717
Molecular FormulaC13H11FN2OS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC Name4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
SMILESOc1ccc(F)cc1C1=NNC(c2cccs2)C1
InChIInChI=1S/C13H11FN2OS/c14-8-3-4-12(17)9(6-8)10-7-11(16-15-10)13-2-1-5-18-13/h1-6,11,16-17H,7H2
InChIKeyHHSPIRCQQSDQRU-UHFFFAOYSA-N
XLogP3.03
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

Analyze 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The IUPAC name of 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol (CID 3767717) is 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol.
What is the SMILES notation for 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The canonical SMILES for 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol is Oc1ccc(F)cc1C1=NNC(c2cccs2)C1.
What is the InChIKey of 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The InChIKey is HHSPIRCQQSDQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2OS/c14-8-3-4-12(17)9(6-8)10-7-11(16-15-10)13-2-1-5-18-13/h1-6,11,16-17H,7H2.
What are the key properties of 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol has a molecular weight of 262.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol is sourced from PubChem (CID 3767717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).