(1-methylpyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone

C15H18F3N5O — CID 128980249

IUPAC(1-methylpyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCCC(c3nc(C(F)(F)F)cn3C)C2)cn1
InChIInChI=1S/C15H18F3N5O/c1-21-9-12(15(16,17)18)20-13(21)10-4-3-5-23(8-10)14(24)11-6-19-22(2)7-11/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyAAVUXGIODVWIJE-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.19
Rot. Bonds2

About (1-methylpyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 128980249) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID128980249
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name(1-methylpyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCCC(c3nc(C(F)(F)F)cn3C)C2)cn1
InChIInChI=1S/C15H18F3N5O/c1-21-9-12(15(16,17)18)20-13(21)10-4-3-5-23(8-10)14(24)11-6-19-22(2)7-11/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyAAVUXGIODVWIJE-UHFFFAOYSA-N
XLogP2.19
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 128980249) is (1-methylpyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cn1cc(C(=O)N2CCCC(c3nc(C(F)(F)F)cn3C)C2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is AAVUXGIODVWIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-21-9-12(15(16,17)18)20-13(21)10-4-3-5-23(8-10)14(24)11-6-19-22(2)7-11/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of (1-methylpyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 341.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 128980249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).