4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine

C13H14F3N5 — CID 155974337

IUPAC4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESFC(F)(F)C1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C13H14F3N5/c14-13(15,16)10-2-6-20(7-3-10)11-8-12(18-9-17-11)21-5-1-4-19-21/h1,4-5,8-10H,2-3,6-7H2
InChIKeyBMUDZTMHKAISAI-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.44
Rot. Bonds2

About 4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine

4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine (PubChem CID 155974337) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
PubChem CID155974337
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC Name4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESFC(F)(F)C1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C13H14F3N5/c14-13(15,16)10-2-6-20(7-3-10)11-8-12(18-9-17-11)21-5-1-4-19-21/h1,4-5,8-10H,2-3,6-7H2
InChIKeyBMUDZTMHKAISAI-UHFFFAOYSA-N
XLogP2.44
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 165433573
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 155974055
2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 154883096
4,5-dimethyl-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074558
4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 10805650
2-(6-pyrazol-1-ylpyrimidin-4-yl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932901
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154853650
1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 45236299
4-pyrazol-1-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 121072473
oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337280
3-fluoro-5-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile
CID 171327506
4-pyrazol-1-yl-6-(2,2,2-trifluoroethyl)pyrimidine
CID 173341974

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine (CID 155974337) is 4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine is FC(F)(F)C1CCN(c2cc(-n3cccn3)ncn2)CC1.
What is the InChIKey of 4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The InChIKey is BMUDZTMHKAISAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c14-13(15,16)10-2-6-20(7-3-10)11-8-12(18-9-17-11)21-5-1-4-19-21/h1,4-5,8-10H,2-3,6-7H2.
What are the key properties of 4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine has a molecular weight of 297.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 155974337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).