4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine

C9H10N4O2S — CID 67397716

IUPAC4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine
SMILESCn1cc(-c2ccnc(S(C)(=O)=O)n2)cn1
InChIInChI=1S/C9H10N4O2S/c1-13-6-7(5-11-13)8-3-4-10-9(12-8)16(2,14)15/h3-6H,1-2H3
InChIKeyURMCOUKSGRWIOF-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.28
Rot. Bonds2

About 4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine

4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine (PubChem CID 67397716) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine
PubChem CID67397716
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine
SMILESCn1cc(-c2ccnc(S(C)(=O)=O)n2)cn1
InChIInChI=1S/C9H10N4O2S/c1-13-6-7(5-11-13)8-3-4-10-9(12-8)16(2,14)15/h3-6H,1-2H3
InChIKeyURMCOUKSGRWIOF-UHFFFAOYSA-N
XLogP0.28
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine (CID 67397716) is 4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine is Cn1cc(-c2ccnc(S(C)(=O)=O)n2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine?
The InChIKey is URMCOUKSGRWIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-13-6-7(5-11-13)8-3-4-10-9(12-8)16(2,14)15/h3-6H,1-2H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine?
4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine has a molecular weight of 238.27 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine is sourced from PubChem (CID 67397716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).