2-(1-ethylsulfonylpyrazol-4-yl)pyrimidine

C9H10N4O2S — CID 141406632

IUPAC2-(1-ethylsulfonylpyrazol-4-yl)pyrimidine
SMILESCCS(=O)(=O)n1cc(-c2ncccn2)cn1
InChIInChI=1S/C9H10N4O2S/c1-2-16(14,15)13-7-8(6-12-13)9-10-4-3-5-11-9/h3-7H,2H2,1H3
InChIKeyKXUIWBBXFRCQPK-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.54
Rot. Bonds3

About 2-(1-ethylsulfonylpyrazol-4-yl)pyrimidine

2-(1-ethylsulfonylpyrazol-4-yl)pyrimidine (PubChem CID 141406632) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-(1-ethylsulfonylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name2-(1-ethylsulfonylpyrazol-4-yl)pyrimidine
PubChem CID141406632
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name2-(1-ethylsulfonylpyrazol-4-yl)pyrimidine
SMILESCCS(=O)(=O)n1cc(-c2ncccn2)cn1
InChIInChI=1S/C9H10N4O2S/c1-2-16(14,15)13-7-8(6-12-13)9-10-4-3-5-11-9/h3-7H,2H2,1H3
InChIKeyKXUIWBBXFRCQPK-UHFFFAOYSA-N
XLogP0.54
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1-ethylsulfonylpyrazol-4-yl)pyrimidine 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-(1-ethylsulfonylpyrazol-4-yl)pyrimidine?
The IUPAC name of 2-(1-ethylsulfonylpyrazol-4-yl)pyrimidine (CID 141406632) is 2-(1-ethylsulfonylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 2-(1-ethylsulfonylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 2-(1-ethylsulfonylpyrazol-4-yl)pyrimidine is CCS(=O)(=O)n1cc(-c2ncccn2)cn1.
What is the InChIKey of 2-(1-ethylsulfonylpyrazol-4-yl)pyrimidine?
The InChIKey is KXUIWBBXFRCQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-2-16(14,15)13-7-8(6-12-13)9-10-4-3-5-11-9/h3-7H,2H2,1H3.
What are the key properties of 2-(1-ethylsulfonylpyrazol-4-yl)pyrimidine?
2-(1-ethylsulfonylpyrazol-4-yl)pyrimidine has a molecular weight of 238.27 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 141406632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).