2-[[1-(2-fluoroethyl)pyrazol-4-yl]methylsulfonyl]-5-methylpyrimidine

C11H13FN4O2S — CID 146106595

IUPAC2-[[1-(2-fluoroethyl)pyrazol-4-yl]methylsulfonyl]-5-methylpyrimidine
SMILESCc1cnc(S(=O)(=O)Cc2cnn(CCF)c2)nc1
InChIInChI=1S/C11H13FN4O2S/c1-9-4-13-11(14-5-9)19(17,18)8-10-6-15-16(7-10)3-2-12/h4-7H,2-3,8H2,1H3
InChIKeyLSXFFFJCCIUBRG-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.92
Rot. Bonds5

About 2-[[1-(2-fluoroethyl)pyrazol-4-yl]methylsulfonyl]-5-methylpyrimidine

2-[[1-(2-fluoroethyl)pyrazol-4-yl]methylsulfonyl]-5-methylpyrimidine (PubChem CID 146106595) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[[1-(2-fluoroethyl)pyrazol-4-yl]methylsulfonyl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[[1-(2-fluoroethyl)pyrazol-4-yl]methylsulfonyl]-5-methylpyrimidine
PubChem CID146106595
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name2-[[1-(2-fluoroethyl)pyrazol-4-yl]methylsulfonyl]-5-methylpyrimidine
SMILESCc1cnc(S(=O)(=O)Cc2cnn(CCF)c2)nc1
InChIInChI=1S/C11H13FN4O2S/c1-9-4-13-11(14-5-9)19(17,18)8-10-6-15-16(7-10)3-2-12/h4-7H,2-3,8H2,1H3
InChIKeyLSXFFFJCCIUBRG-UHFFFAOYSA-N
XLogP0.92
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluoroethyl)pyrazol-4-yl]methylsulfonyl]-5-methylpyrimidine?
The IUPAC name of 2-[[1-(2-fluoroethyl)pyrazol-4-yl]methylsulfonyl]-5-methylpyrimidine (CID 146106595) is 2-[[1-(2-fluoroethyl)pyrazol-4-yl]methylsulfonyl]-5-methylpyrimidine.
What is the SMILES notation for 2-[[1-(2-fluoroethyl)pyrazol-4-yl]methylsulfonyl]-5-methylpyrimidine?
The canonical SMILES for 2-[[1-(2-fluoroethyl)pyrazol-4-yl]methylsulfonyl]-5-methylpyrimidine is Cc1cnc(S(=O)(=O)Cc2cnn(CCF)c2)nc1.
What is the InChIKey of 2-[[1-(2-fluoroethyl)pyrazol-4-yl]methylsulfonyl]-5-methylpyrimidine?
The InChIKey is LSXFFFJCCIUBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c1-9-4-13-11(14-5-9)19(17,18)8-10-6-15-16(7-10)3-2-12/h4-7H,2-3,8H2,1H3.
What are the key properties of 2-[[1-(2-fluoroethyl)pyrazol-4-yl]methylsulfonyl]-5-methylpyrimidine?
2-[[1-(2-fluoroethyl)pyrazol-4-yl]methylsulfonyl]-5-methylpyrimidine has a molecular weight of 284.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluoroethyl)pyrazol-4-yl]methylsulfonyl]-5-methylpyrimidine is sourced from PubChem (CID 146106595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).