2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine

C10H11N3O2S — CID 114600203

IUPAC2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine
SMILESCc1ccn(-c2ncccc2S(C)(=O)=O)n1
InChIInChI=1S/C10H11N3O2S/c1-8-5-7-13(12-8)10-9(16(2,14)15)4-3-6-11-10/h3-7H,1-2H3
InChIKeyBOWUNXXDGUFUBL-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.98
Rot. Bonds2

About 2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine

2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine (PubChem CID 114600203) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine.

Molecular Properties

Compound Name2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine
PubChem CID114600203
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine
SMILESCc1ccn(-c2ncccc2S(C)(=O)=O)n1
InChIInChI=1S/C10H11N3O2S/c1-8-5-7-13(12-8)10-9(16(2,14)15)4-3-6-11-10/h3-7H,1-2H3
InChIKeyBOWUNXXDGUFUBL-UHFFFAOYSA-N
XLogP0.98
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-1-(3-methylsulfonyl-2-pyridinyl)pyrazole-4-carboxylic acid
CID 114599482
[2-(3-methylpyrazol-1-yl)-3-pyridinyl]methanol
CID 62490554
1-(3-methylsulfonyl-2-pyridinyl)azepane
CID 133498194
N'-hydroxy-1-(3-methylsulfonyl-2-pyridinyl)-1,2,4-triazole-3-carboximidamide
CID 136971745
3-methyl-1-(4-methylsulfonylphenyl)pyrazole
CID 90328454
2-[4-(bromomethyl)piperidin-1-yl]-3-methylsulfonylpyridine
CID 114599919
2-methyl-2-[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]propanenitrile
CID 114598422
N-ethyl-4-methyl-6-[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]pyrimidin-2-amine
CID 155976090
2-(2-methyl-4-pyridinyl)-3-methylsulfonylpyridine
CID 141276188
3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol
CID 114680845
methyl 1-(3-methylsulfonyl-2-pyridinyl)piperidine-4-carboxylate
CID 114599507
3-(5,6-dimethylpyrimidin-4-yl)-6-(3-methylsulfonyl-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane
CID 175648512

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine?
The IUPAC name of 2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine (CID 114600203) is 2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine.
What is the SMILES notation for 2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine?
The canonical SMILES for 2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine is Cc1ccn(-c2ncccc2S(C)(=O)=O)n1.
What is the InChIKey of 2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine?
The InChIKey is BOWUNXXDGUFUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-8-5-7-13(12-8)10-9(16(2,14)15)4-3-6-11-10/h3-7H,1-2H3.
What are the key properties of 2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine?
2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine has a molecular weight of 237.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine is sourced from PubChem (CID 114600203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).