[(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone

C21H26F3N3O — CID 42595073

IUPAC[(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCC(C)Cc1cc(CN2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)[nH]n1
InChIInChI=1S/C21H26F3N3O/c1-14(2)10-18-11-19(26-25-18)13-27-9-3-4-16(12-27)20(28)15-5-7-17(8-6-15)21(22,23)24/h5-8,11,14,16H,3-4,9-10,12-13H2,1-2H3,(H,25,26)/t16-/m1/s1
InChIKeyZIWALCUCFCYVDI-MRXNPFEDSA-N
MW393.45 g/mol
LogP4.72
Rot. Bonds6

About [(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone

[(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 42595073) has the molecular formula C21H26F3N3O and a molecular weight of 393.45 g/mol. Its IUPAC name is [(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID42595073
Molecular FormulaC21H26F3N3O
Molecular Weight393.45 g/mol
Exact Mass393.20
IUPAC Name[(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCC(C)Cc1cc(CN2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)[nH]n1
InChIInChI=1S/C21H26F3N3O/c1-14(2)10-18-11-19(26-25-18)13-27-9-3-4-16(12-27)20(28)15-5-7-17(8-6-15)21(22,23)24/h5-8,11,14,16H,3-4,9-10,12-13H2,1-2H3,(H,25,26)/t16-/m1/s1
InChIKeyZIWALCUCFCYVDI-MRXNPFEDSA-N
XLogP4.72
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 45237526
[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45195099
(5-fluoro-2-methoxyphenyl)-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]methanone
CID 42591548
5-[[(3S)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95221204
(3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone
CID 45197086
(4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 45234791
(3-fluoro-4-phenylphenyl)-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-yl]methanone
CID 45252549
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone
CID 42513467
[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 56867810
3-[(3S,4R)-4-(dimethylamino)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]propanoic acid
CID 133117436
2-amino-2-methyl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 72850239
(4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone
CID 45180520

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 42595073) is [(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone is CC(C)Cc1cc(CN2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)[nH]n1.
What is the InChIKey of [(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZIWALCUCFCYVDI-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26F3N3O/c1-14(2)10-18-11-19(26-25-18)13-27-9-3-4-16(12-27)20(28)15-5-7-17(8-6-15)21(22,23)24/h5-8,11,14,16H,3-4,9-10,12-13H2,1-2H3,(H,25,26)/t16-/m1/s1.
What are the key properties of [(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
[(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 393.45 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 42595073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).