[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone

C17H19F3N4O — CID 138992170

IUPAC[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCCCC1c1ccnn1C
InChIInChI=1S/C17H19F3N4O/c1-11-12(6-7-15(22-11)17(18,19)20)16(25)24-10-4-3-5-14(24)13-8-9-21-23(13)2/h6-9,14H,3-5,10H2,1-2H3
InChIKeyJHZXEKKRDHTNHZ-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.51
Rot. Bonds2

About [2-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone

[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 138992170) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is [2-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID138992170
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCCCC1c1ccnn1C
InChIInChI=1S/C17H19F3N4O/c1-11-12(6-7-15(22-11)17(18,19)20)16(25)24-10-4-3-5-14(24)13-8-9-21-23(13)2/h6-9,14H,3-5,10H2,1-2H3
InChIKeyJHZXEKKRDHTNHZ-UHFFFAOYSA-N
XLogP3.51
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [2-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (CID 138992170) is [2-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [2-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is Cc1nc(C(F)(F)F)ccc1C(=O)N1CCCCC1c1ccnn1C.
What is the InChIKey of [2-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is JHZXEKKRDHTNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-11-12(6-7-15(22-11)17(18,19)20)16(25)24-10-4-3-5-14(24)13-8-9-21-23(13)2/h6-9,14H,3-5,10H2,1-2H3.
What are the key properties of [2-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 352.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 138992170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).