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

C15H11F3N4O2S — CID 21075608

IUPAC2-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrimidine
SMILESCS(=O)(=O)c1nccc(-n2nccc2-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H11F3N4O2S/c1-25(23,24)14-19-7-6-13(21-14)22-12(5-8-20-22)10-3-2-4-11(9-10)15(16,17)18/h2-9H,1H3
InChIKeyNFURUJIPMCDKQM-UHFFFAOYSA-N
MW368.34 g/mol
LogP2.75
Rot. Bonds3

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

2-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrimidine (PubChem CID 21075608) has the molecular formula C15H11F3N4O2S and a molecular weight of 368.34 g/mol. Its IUPAC name is 2-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrimidine
PubChem CID21075608
Molecular FormulaC15H11F3N4O2S
Molecular Weight368.34 g/mol
Exact Mass368.06
IUPAC Name2-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrimidine
SMILESCS(=O)(=O)c1nccc(-n2nccc2-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H11F3N4O2S/c1-25(23,24)14-19-7-6-13(21-14)22-12(5-8-20-22)10-3-2-4-11(9-10)15(16,17)18/h2-9H,1H3
InChIKeyNFURUJIPMCDKQM-UHFFFAOYSA-N
XLogP2.75
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrimidine?
The IUPAC name of 2-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrimidine (CID 21075608) is 2-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 2-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrimidine?
The canonical SMILES for 2-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrimidine is CS(=O)(=O)c1nccc(-n2nccc2-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrimidine?
The InChIKey is NFURUJIPMCDKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2S/c1-25(23,24)14-19-7-6-13(21-14)22-12(5-8-20-22)10-3-2-4-11(9-10)15(16,17)18/h2-9H,1H3.
What are the key properties of 2-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrimidine?
2-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrimidine has a molecular weight of 368.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4-[5-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 21075608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).