2-methyl-4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine

C15H19F3N6O2S — CID 122337893

IUPAC2-methyl-4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine
SMILESCc1nc(N2CCN(S(=O)(=O)CCC(F)(F)F)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C15H19F3N6O2S/c1-12-20-13(11-14(21-12)24-5-2-4-19-24)22-6-8-23(9-7-22)27(25,26)10-3-15(16,17)18/h2,4-5,11H,3,6-10H2,1H3
InChIKeyOJEKNECUEZNXLZ-UHFFFAOYSA-N
MW404.42 g/mol
LogP1.37
Rot. Bonds5

About 2-methyl-4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine

2-methyl-4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine (PubChem CID 122337893) has the molecular formula C15H19F3N6O2S and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-methyl-4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine
PubChem CID122337893
Molecular FormulaC15H19F3N6O2S
Molecular Weight404.42 g/mol
Exact Mass404.12
IUPAC Name2-methyl-4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine
SMILESCc1nc(N2CCN(S(=O)(=O)CCC(F)(F)F)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C15H19F3N6O2S/c1-12-20-13(11-14(21-12)24-5-2-4-19-24)22-6-8-23(9-7-22)27(25,26)10-3-15(16,17)18/h2,4-5,11H,3,6-10H2,1H3
InChIKeyOJEKNECUEZNXLZ-UHFFFAOYSA-N
XLogP1.37
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,3,3-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-6-yl)propane-1-sulfonamide
CID 91629192
N-(2-((6-(1H-pyrazol-1-yl)pyrimidin-4-yl)amino)ethyl)butane-1-sulfonamide
CID 30868172
4-(4-(butylsulfonyl)piperazin-1-yl)-6-(1H-pyrazol-1-yl)pyrimidine
CID 45502428
2-[4-Ethyl-5-(4-methylsulfonylpiperazin-1-yl)-1,2,4-triazol-3-yl]pyrimidine
CID 138010477
3,3,3-trifluoro-N-[4-methyl-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidin-4-yl]propane-1-sulfonamide
CID 153525523
4,4,4-trifluoro-N-(1-pyrimidin-2-ylpyrazol-4-yl)butane-1-sulfonamide
CID 100714855
3,3,3-trifluoro-N-(2-((2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)amino)ethyl)propane-1-sulfonamide
CID 122290036
4-(1H-pyrazol-1-yl)-6-(4-((3,3,3-trifluoropropyl)sulfonyl)piperazin-1-yl)pyrimidine
CID 122337396
4-(1H-imidazol-1-yl)-6-(4-((3,3,3-trifluoropropyl)sulfonyl)piperazin-1-yl)pyrimidine
CID 122338403
4-(1H-imidazol-1-yl)-2-methyl-6-(4-((3,3,3-trifluoropropyl)sulfonyl)piperazin-1-yl)pyrimidine
CID 122338658
4-(2-methyl-1H-imidazol-1-yl)-6-(4-((3,3,3-trifluoropropyl)sulfonyl)piperazin-1-yl)pyrimidine
CID 122338904
2-(Pyrrolidin-1-yl)-4-(4-((3,3,3-trifluoropropyl)sulfonyl)piperazin-1-yl)pyrimidine
CID 122343954

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine (CID 122337893) is 2-methyl-4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine is Cc1nc(N2CCN(S(=O)(=O)CCC(F)(F)F)CC2)cc(-n2cccn2)n1.
What is the InChIKey of 2-methyl-4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine?
The InChIKey is OJEKNECUEZNXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O2S/c1-12-20-13(11-14(21-12)24-5-2-4-19-24)22-6-8-23(9-7-22)27(25,26)10-3-15(16,17)18/h2,4-5,11H,3,6-10H2,1H3.
What are the key properties of 2-methyl-4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine?
2-methyl-4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine has a molecular weight of 404.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 122337893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).