5-methyl-4-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

C10H9F3N4O2S — CID 11381217

IUPAC5-methyl-4-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCc1cnc(-n2ccc(C(F)(F)F)n2)nc1S(C)(=O)=O
InChIInChI=1S/C10H9F3N4O2S/c1-6-5-14-9(15-8(6)20(2,18)19)17-4-3-7(16-17)10(11,12)13/h3-5H,1-2H3
InChIKeyNBCWHFQYLGQUEF-UHFFFAOYSA-N
MW306.27 g/mol
LogP1.39
Rot. Bonds2

About 5-methyl-4-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

5-methyl-4-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (PubChem CID 11381217) has the molecular formula C10H9F3N4O2S and a molecular weight of 306.27 g/mol. Its IUPAC name is 5-methyl-4-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name5-methyl-4-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
PubChem CID11381217
Molecular FormulaC10H9F3N4O2S
Molecular Weight306.27 g/mol
Exact Mass306.04
IUPAC Name5-methyl-4-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCc1cnc(-n2ccc(C(F)(F)F)n2)nc1S(C)(=O)=O
InChIInChI=1S/C10H9F3N4O2S/c1-6-5-14-9(15-8(6)20(2,18)19)17-4-3-7(16-17)10(11,12)13/h3-5H,1-2H3
InChIKeyNBCWHFQYLGQUEF-UHFFFAOYSA-N
XLogP1.39
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 5-methyl-4-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (CID 11381217) is 5-methyl-4-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 5-methyl-4-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 5-methyl-4-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is Cc1cnc(-n2ccc(C(F)(F)F)n2)nc1S(C)(=O)=O.
What is the InChIKey of 5-methyl-4-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is NBCWHFQYLGQUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2S/c1-6-5-14-9(15-8(6)20(2,18)19)17-4-3-7(16-17)10(11,12)13/h3-5H,1-2H3.
What are the key properties of 5-methyl-4-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
5-methyl-4-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine has a molecular weight of 306.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 11381217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).