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

C14H17F3N6O2S — CID 122337396

IUPAC4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine
SMILESO=S(=O)(CCC(F)(F)F)N1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C14H17F3N6O2S/c15-14(16,17)2-9-26(24,25)22-7-5-21(6-8-22)12-10-13(19-11-18-12)23-4-1-3-20-23/h1,3-4,10-11H,2,5-9H2
InChIKeyWTFCKSCQYPYGAA-UHFFFAOYSA-N
MW390.39 g/mol
LogP1.07
Rot. Bonds5

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

4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine (PubChem CID 122337396) has the molecular formula C14H17F3N6O2S and a molecular weight of 390.39 g/mol. Its IUPAC name is 4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine
PubChem CID122337396
Molecular FormulaC14H17F3N6O2S
Molecular Weight390.39 g/mol
Exact Mass390.11
IUPAC Name4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine
SMILESO=S(=O)(CCC(F)(F)F)N1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C14H17F3N6O2S/c15-14(16,17)2-9-26(24,25)22-7-5-21(6-8-22)12-10-13(19-11-18-12)23-4-1-3-20-23/h1,3-4,10-11H,2,5-9H2
InChIKeyWTFCKSCQYPYGAA-UHFFFAOYSA-N
XLogP1.07
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-(Propylsulfonyl)piperazin-1-yl)-2-(pyrrolidin-1-yl)pyrimidine
CID 70703312
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
4-[6-(1H-Pyrazol-1-YL)pyrimidin-4-YL]thiomorpholine
CID 53015227
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
1-(2,2-difluoroethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazole-4-sulfonamide
CID 99823066
1-(2,2-difluoroethyl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazole-4-sulfonamide
CID 99823067
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
2-methyl-4-(1H-pyrazol-1-yl)-6-(4-((3,3,3-trifluoropropyl)sulfonyl)piperazin-1-yl)pyrimidine
CID 122337893

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine (CID 122337396) is 4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine is O=S(=O)(CCC(F)(F)F)N1CCN(c2cc(-n3cccn3)ncn2)CC1.
What is the InChIKey of 4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine?
The InChIKey is WTFCKSCQYPYGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O2S/c15-14(16,17)2-9-26(24,25)22-7-5-21(6-8-22)12-10-13(19-11-18-12)23-4-1-3-20-23/h1,3-4,10-11H,2,5-9H2.
What are the key properties of 4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine?
4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine has a molecular weight of 390.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 122337396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).