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

C13H10N2OS — CID 135508215

IUPAC2-(4-thiophen-3-yl-1H-pyrazol-5-yl)phenol
SMILESOc1ccccc1-c1[nH]ncc1-c1ccsc1
InChIInChI=1S/C13H10N2OS/c16-12-4-2-1-3-10(12)13-11(7-14-15-13)9-5-6-17-8-9/h1-8,16H,(H,14,15)
InChIKeyXUURPAAMYVSRBQ-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.51
Rot. Bonds2

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

2-(4-thiophen-3-yl-1H-pyrazol-5-yl)phenol (PubChem CID 135508215) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(4-thiophen-3-yl-1H-pyrazol-5-yl)phenol.

Molecular Properties

Compound Name2-(4-thiophen-3-yl-1H-pyrazol-5-yl)phenol
PubChem CID135508215
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name2-(4-thiophen-3-yl-1H-pyrazol-5-yl)phenol
SMILESOc1ccccc1-c1[nH]ncc1-c1ccsc1
InChIInChI=1S/C13H10N2OS/c16-12-4-2-1-3-10(12)13-11(7-14-15-13)9-5-6-17-8-9/h1-8,16H,(H,14,15)
InChIKeyXUURPAAMYVSRBQ-UHFFFAOYSA-N
XLogP3.51
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-thiophen-3-yl-1H-pyrazol-5-yl)phenol?
The IUPAC name of 2-(4-thiophen-3-yl-1H-pyrazol-5-yl)phenol (CID 135508215) is 2-(4-thiophen-3-yl-1H-pyrazol-5-yl)phenol.
What is the SMILES notation for 2-(4-thiophen-3-yl-1H-pyrazol-5-yl)phenol?
The canonical SMILES for 2-(4-thiophen-3-yl-1H-pyrazol-5-yl)phenol is Oc1ccccc1-c1[nH]ncc1-c1ccsc1.
What is the InChIKey of 2-(4-thiophen-3-yl-1H-pyrazol-5-yl)phenol?
The InChIKey is XUURPAAMYVSRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c16-12-4-2-1-3-10(12)13-11(7-14-15-13)9-5-6-17-8-9/h1-8,16H,(H,14,15).
What are the key properties of 2-(4-thiophen-3-yl-1H-pyrazol-5-yl)phenol?
2-(4-thiophen-3-yl-1H-pyrazol-5-yl)phenol has a molecular weight of 242.30 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-thiophen-3-yl-1H-pyrazol-5-yl)phenol is sourced from PubChem (CID 135508215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).