4-pyrazol-1-yl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-5-amine

C16H17F3N8 — CID 133450843

IUPAC4-pyrazol-1-yl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-5-amine
SMILESNc1c(N2CCCC(n3ccc(C(F)(F)F)n3)C2)ncnc1-n1cccn1
InChIInChI=1S/C16H17F3N8/c17-16(18,19)12-4-8-26(24-12)11-3-1-6-25(9-11)14-13(20)15(22-10-21-14)27-7-2-5-23-27/h2,4-5,7-8,10-11H,1,3,6,9,20H2
InChIKeyOOZOFDMYNJPTKW-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.30
Rot. Bonds3

About 4-pyrazol-1-yl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-5-amine

4-pyrazol-1-yl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-5-amine (PubChem CID 133450843) has the molecular formula C16H17F3N8 and a molecular weight of 378.36 g/mol. Its IUPAC name is 4-pyrazol-1-yl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-5-amine.

Molecular Properties

Compound Name4-pyrazol-1-yl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-5-amine
PubChem CID133450843
Molecular FormulaC16H17F3N8
Molecular Weight378.36 g/mol
Exact Mass378.15
IUPAC Name4-pyrazol-1-yl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-5-amine
SMILESNc1c(N2CCCC(n3ccc(C(F)(F)F)n3)C2)ncnc1-n1cccn1
InChIInChI=1S/C16H17F3N8/c17-16(18,19)12-4-8-26(24-12)11-3-1-6-25(9-11)14-13(20)15(22-10-21-14)27-7-2-5-23-27/h2,4-5,7-8,10-11H,1,3,6,9,20H2
InChIKeyOOZOFDMYNJPTKW-UHFFFAOYSA-N
XLogP2.30
TPSA90.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-5-amine?
The IUPAC name of 4-pyrazol-1-yl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-5-amine (CID 133450843) is 4-pyrazol-1-yl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-5-amine.
What is the SMILES notation for 4-pyrazol-1-yl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-5-amine?
The canonical SMILES for 4-pyrazol-1-yl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-5-amine is Nc1c(N2CCCC(n3ccc(C(F)(F)F)n3)C2)ncnc1-n1cccn1.
What is the InChIKey of 4-pyrazol-1-yl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-5-amine?
The InChIKey is OOZOFDMYNJPTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N8/c17-16(18,19)12-4-8-26(24-12)11-3-1-6-25(9-11)14-13(20)15(22-10-21-14)27-7-2-5-23-27/h2,4-5,7-8,10-11H,1,3,6,9,20H2.
What are the key properties of 4-pyrazol-1-yl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-5-amine?
4-pyrazol-1-yl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-5-amine has a molecular weight of 378.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-5-amine is sourced from PubChem (CID 133450843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).