(1,5-dimethylpyrazol-3-yl)-[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone

C15H19F3N6O — CID 170285557

IUPAC(1,5-dimethylpyrazol-3-yl)-[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(Cn3cc(C(F)(F)F)nn3)CC2)nn1C
InChIInChI=1S/C15H19F3N6O/c1-10-7-12(20-22(10)2)14(25)23-5-3-11(4-6-23)8-24-9-13(19-21-24)15(16,17)18/h7,9,11H,3-6,8H2,1-2H3
InChIKeyVAPVZGAFHDJAFI-UHFFFAOYSA-N
MW356.35 g/mol
LogP1.89
Rot. Bonds3

About (1,5-dimethylpyrazol-3-yl)-[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone

(1,5-dimethylpyrazol-3-yl)-[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone (PubChem CID 170285557) has the molecular formula C15H19F3N6O and a molecular weight of 356.35 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
PubChem CID170285557
Molecular FormulaC15H19F3N6O
Molecular Weight356.35 g/mol
Exact Mass356.16
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(Cn3cc(C(F)(F)F)nn3)CC2)nn1C
InChIInChI=1S/C15H19F3N6O/c1-10-7-12(20-22(10)2)14(25)23-5-3-11(4-6-23)8-24-9-13(19-21-24)15(16,17)18/h7,9,11H,3-6,8H2,1-2H3
InChIKeyVAPVZGAFHDJAFI-UHFFFAOYSA-N
XLogP1.89
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone (CID 170285557) is (1,5-dimethylpyrazol-3-yl)-[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(Cn3cc(C(F)(F)F)nn3)CC2)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is VAPVZGAFHDJAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O/c1-10-7-12(20-22(10)2)14(25)23-5-3-11(4-6-23)8-24-9-13(19-21-24)15(16,17)18/h7,9,11H,3-6,8H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
(1,5-dimethylpyrazol-3-yl)-[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 356.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 170285557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).