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

C13H12N2OS — CID 4738378

IUPAC4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
SMILESOc1ccc(C2=NNC(c3cccs3)C2)cc1
InChIInChI=1S/C13H12N2OS/c16-10-5-3-9(4-6-10)11-8-12(15-14-11)13-2-1-7-17-13/h1-7,12,15-16H,8H2
InChIKeyMMWDGORNVLUSIC-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.89
Rot. Bonds2

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

4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol (PubChem CID 4738378) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol.

Molecular Properties

Compound Name4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
PubChem CID4738378
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
SMILESOc1ccc(C2=NNC(c3cccs3)C2)cc1
InChIInChI=1S/C13H12N2OS/c16-10-5-3-9(4-6-10)11-8-12(15-14-11)13-2-1-7-17-13/h1-7,12,15-16H,8H2
InChIKeyMMWDGORNVLUSIC-UHFFFAOYSA-N
XLogP2.89
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.89
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-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The IUPAC name of 4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol (CID 4738378) is 4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol.
What is the SMILES notation for 4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The canonical SMILES for 4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol is Oc1ccc(C2=NNC(c3cccs3)C2)cc1.
What is the InChIKey of 4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The InChIKey is MMWDGORNVLUSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c16-10-5-3-9(4-6-10)11-8-12(15-14-11)13-2-1-7-17-13/h1-7,12,15-16H,8H2.
What are the key properties of 4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol has a molecular weight of 244.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol is sourced from PubChem (CID 4738378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).