[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

C20H24F3N3O — CID 45195099

IUPAC[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCC(C)c1cc(CN2CCCC(C(=O)c3cccc(C(F)(F)F)c3)C2)[nH]n1
InChIInChI=1S/C20H24F3N3O/c1-13(2)18-10-17(24-25-18)12-26-8-4-6-15(11-26)19(27)14-5-3-7-16(9-14)20(21,22)23/h3,5,7,9-10,13,15H,4,6,8,11-12H2,1-2H3,(H,24,25)
InChIKeyAJNDVDDHLSLTTB-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.65
Rot. Bonds5

About [1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 45195099) has the molecular formula C20H24F3N3O and a molecular weight of 379.43 g/mol. Its IUPAC name is [1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID45195099
Molecular FormulaC20H24F3N3O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCC(C)c1cc(CN2CCCC(C(=O)c3cccc(C(F)(F)F)c3)C2)[nH]n1
InChIInChI=1S/C20H24F3N3O/c1-13(2)18-10-17(24-25-18)12-26-8-4-6-15(11-26)19(27)14-5-3-7-16(9-14)20(21,22)23/h3,5,7,9-10,13,15H,4,6,8,11-12H2,1-2H3,(H,24,25)
InChIKeyAJNDVDDHLSLTTB-UHFFFAOYSA-N
XLogP4.65
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone
CID 45197086
[(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 42595073
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone
CID 42513467
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45236227
5-[[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95455940
[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45243704
[(3R)-1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 30853529
1-[4-[[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 45188337
(1-propan-2-ylsulfonylpiperidin-3-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 45188055
(3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone
CID 45172268
[1-(2-pyridin-2-ylethyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 72906775
[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 45237526

Frequently Asked Questions

What is the IUPAC name of [1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 45195099) is [1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is CC(C)c1cc(CN2CCCC(C(=O)c3cccc(C(F)(F)F)c3)C2)[nH]n1.
What is the InChIKey of [1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is AJNDVDDHLSLTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O/c1-13(2)18-10-17(24-25-18)12-26-8-4-6-15(11-26)19(27)14-5-3-7-16(9-14)20(21,22)23/h3,5,7,9-10,13,15H,4,6,8,11-12H2,1-2H3,(H,24,25).
What are the key properties of [1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 379.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 45195099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).