2-methylsulfonyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine

C9H7F3N4O2S — CID 134202130

IUPAC2-methylsulfonyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1nc(-n2cccn2)cc(C(F)(F)F)n1
InChIInChI=1S/C9H7F3N4O2S/c1-19(17,18)8-14-6(9(10,11)12)5-7(15-8)16-4-2-3-13-16/h2-5H,1H3
InChIKeyCGQCRRSGBVEBGI-UHFFFAOYSA-N
MW292.24 g/mol
LogP1.08
Rot. Bonds2

About 2-methylsulfonyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine

2-methylsulfonyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 134202130) has the molecular formula C9H7F3N4O2S and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-methylsulfonyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methylsulfonyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine
PubChem CID134202130
Molecular FormulaC9H7F3N4O2S
Molecular Weight292.24 g/mol
Exact Mass292.02
IUPAC Name2-methylsulfonyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1nc(-n2cccn2)cc(C(F)(F)F)n1
InChIInChI=1S/C9H7F3N4O2S/c1-19(17,18)8-14-6(9(10,11)12)5-7(15-8)16-4-2-3-13-16/h2-5H,1H3
InChIKeyCGQCRRSGBVEBGI-UHFFFAOYSA-N
XLogP1.08
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methylsulfonyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine (CID 134202130) is 2-methylsulfonyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methylsulfonyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methylsulfonyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine is CS(=O)(=O)c1nc(-n2cccn2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methylsulfonyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is CGQCRRSGBVEBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O2S/c1-19(17,18)8-14-6(9(10,11)12)5-7(15-8)16-4-2-3-13-16/h2-5H,1H3.
What are the key properties of 2-methylsulfonyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine?
2-methylsulfonyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 292.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 134202130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).