2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine

C13H14F3N5 — CID 51104267

IUPAC2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCC(c3ccn[nH]3)CC2)n1
InChIInChI=1S/C13H14F3N5/c14-13(15,16)11-2-5-17-12(19-11)21-7-3-9(4-8-21)10-1-6-18-20-10/h1-2,5-6,9H,3-4,7-8H2,(H,18,20)
InChIKeyVUBFLLVWWVXEFG-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.60
Rot. Bonds2

About 2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine

2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 51104267) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID51104267
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC Name2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCC(c3ccn[nH]3)CC2)n1
InChIInChI=1S/C13H14F3N5/c14-13(15,16)11-2-5-17-12(19-11)21-7-3-9(4-8-21)10-1-6-18-20-10/h1-2,5-6,9H,3-4,7-8H2,(H,18,20)
InChIKeyVUBFLLVWWVXEFG-UHFFFAOYSA-N
XLogP2.60
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine (CID 51104267) is 2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(N2CCC(c3ccn[nH]3)CC2)n1.
What is the InChIKey of 2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is VUBFLLVWWVXEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c14-13(15,16)11-2-5-17-12(19-11)21-7-3-9(4-8-21)10-1-6-18-20-10/h1-2,5-6,9H,3-4,7-8H2,(H,18,20).
What are the key properties of 2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 297.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 51104267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).