5-methyl-2-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]pyrimidine

C11H11F3N4O2S — CID 75471589

IUPAC5-methyl-2-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]pyrimidine
SMILESCc1cnc(S(=O)(=O)Cc2cnn(C)c2C(F)(F)F)nc1
InChIInChI=1S/C11H11F3N4O2S/c1-7-3-15-10(16-4-7)21(19,20)6-8-5-17-18(2)9(8)11(12,13)14/h3-5H,6H2,1-2H3
InChIKeyTVKQCEQGAHBFFF-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.51
Rot. Bonds3

About 5-methyl-2-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]pyrimidine

5-methyl-2-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]pyrimidine (PubChem CID 75471589) has the molecular formula C11H11F3N4O2S and a molecular weight of 320.30 g/mol. Its IUPAC name is 5-methyl-2-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]pyrimidine
PubChem CID75471589
Molecular FormulaC11H11F3N4O2S
Molecular Weight320.30 g/mol
Exact Mass320.06
IUPAC Name5-methyl-2-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]pyrimidine
SMILESCc1cnc(S(=O)(=O)Cc2cnn(C)c2C(F)(F)F)nc1
InChIInChI=1S/C11H11F3N4O2S/c1-7-3-15-10(16-4-7)21(19,20)6-8-5-17-18(2)9(8)11(12,13)14/h3-5H,6H2,1-2H3
InChIKeyTVKQCEQGAHBFFF-UHFFFAOYSA-N
XLogP1.51
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]pyrimidine?
The IUPAC name of 5-methyl-2-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]pyrimidine (CID 75471589) is 5-methyl-2-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]pyrimidine.
What is the SMILES notation for 5-methyl-2-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]pyrimidine?
The canonical SMILES for 5-methyl-2-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]pyrimidine is Cc1cnc(S(=O)(=O)Cc2cnn(C)c2C(F)(F)F)nc1.
What is the InChIKey of 5-methyl-2-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]pyrimidine?
The InChIKey is TVKQCEQGAHBFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2S/c1-7-3-15-10(16-4-7)21(19,20)6-8-5-17-18(2)9(8)11(12,13)14/h3-5H,6H2,1-2H3.
What are the key properties of 5-methyl-2-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]pyrimidine?
5-methyl-2-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]pyrimidine has a molecular weight of 320.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]pyrimidine is sourced from PubChem (CID 75471589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).