2-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)phenol

C14H14N2O3S2 — CID 2989721

IUPAC2-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)phenol
SMILESCS(=O)(=O)N1N=C(c2cccs2)CC1c1ccccc1O
InChIInChI=1S/C14H14N2O3S2/c1-21(18,19)16-12(10-5-2-3-6-13(10)17)9-11(15-16)14-7-4-8-20-14/h2-8,12,17H,9H2,1H3
InChIKeyBIXBOHUVYDCFDK-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.56
Rot. Bonds3

About 2-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)phenol

2-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)phenol (PubChem CID 2989721) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)phenol.

Molecular Properties

Compound Name2-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)phenol
PubChem CID2989721
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Name2-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)phenol
SMILESCS(=O)(=O)N1N=C(c2cccs2)CC1c1ccccc1O
InChIInChI=1S/C14H14N2O3S2/c1-21(18,19)16-12(10-5-2-3-6-13(10)17)9-11(15-16)14-7-4-8-20-14/h2-8,12,17H,9H2,1H3
InChIKeyBIXBOHUVYDCFDK-UHFFFAOYSA-N
XLogP2.56
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-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 2-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)phenol?
The IUPAC name of 2-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)phenol (CID 2989721) is 2-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)phenol.
What is the SMILES notation for 2-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)phenol?
The canonical SMILES for 2-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)phenol is CS(=O)(=O)N1N=C(c2cccs2)CC1c1ccccc1O.
What is the InChIKey of 2-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)phenol?
The InChIKey is BIXBOHUVYDCFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-21(18,19)16-12(10-5-2-3-6-13(10)17)9-11(15-16)14-7-4-8-20-14/h2-8,12,17H,9H2,1H3.
What are the key properties of 2-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)phenol?
2-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)phenol has a molecular weight of 322.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)phenol is sourced from PubChem (CID 2989721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).