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

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Related Compounds

1-ethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 6464558
N-(2-((6-(1H-pyrazol-1-yl)pyrimidin-4-yl)amino)ethyl)butane-1-sulfonamide
CID 30868172
4-(4-(butylsulfonyl)piperazin-1-yl)-6-(1H-pyrazol-1-yl)pyrimidine
CID 45502428
2,6-Dimethyl-4-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-1,4-thiazinane 1-oxide
CID 132382949
2-[4-Ethyl-5-(4-methylsulfonylpiperazin-1-yl)-1,2,4-triazol-3-yl]pyrimidine
CID 138010477
2-(1-Cyclopropylsulfonylpyrazol-4-yl)-5-fluoropyrimidin-4-amine
CID 167425768
2-[1-(3-Fluoroazetidin-1-yl)sulfonylpyrazol-4-yl]pyrimidin-4-amine
CID 167426020
3,3,3-trifluoro-N-(2-((2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)amino)ethyl)propane-1-sulfonamide
CID 122290036
4-(1H-pyrazol-1-yl)-6-(4-((3,3,3-trifluoropropyl)sulfonyl)piperazin-1-yl)pyrimidine
CID 122337396
2-methyl-4-(1H-pyrazol-1-yl)-6-(4-((3,3,3-trifluoropropyl)sulfonyl)piperazin-1-yl)pyrimidine
CID 122337893
2-[[1-(2-Fluoroethyl)pyrazol-4-yl]methylsulfonyl]-5-methylpyrimidine
CID 146106595
4-Fluoro-2-(1-propyl-1h-pyrazol-4-yl)pyrimidine
CID 164652238

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).