[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C17H18F3N3O — CID 52906696

IUPAC[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)15-5-2-1-4-14(15)16(24)22-10-6-13(7-11-22)12-23-9-3-8-21-23/h1-5,8-9,13H,6-7,10-12H2
InChIKeyHBONXROGDOWZEA-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.45
Rot. Bonds3

About [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 52906696) has the molecular formula C17H18F3N3O and a molecular weight of 337.34 g/mol. Its IUPAC name is [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID52906696
Molecular FormulaC17H18F3N3O
Molecular Weight337.34 g/mol
Exact Mass337.14
IUPAC Name[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)15-5-2-1-4-14(15)16(24)22-10-6-13(7-11-22)12-23-9-3-8-21-23/h1-5,8-9,13H,6-7,10-12H2
InChIKeyHBONXROGDOWZEA-UHFFFAOYSA-N
XLogP3.45
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 52906696) is [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is HBONXROGDOWZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c18-17(19,20)15-5-2-1-4-14(15)16(24)22-10-6-13(7-11-22)12-23-9-3-8-21-23/h1-5,8-9,13H,6-7,10-12H2.
What are the key properties of [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 337.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 52906696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).