1-[4-methyl-4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide

C20H24F3N5O2 — CID 135384261

IUPAC1-[4-methyl-4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C1(C)CCN(C(=O)n2ccc(C(N)=O)n2)CC1
InChIInChI=1S/C20H24F3N5O2/c1-19(26(2)13-14-4-3-5-15(12-14)20(21,22)23)7-10-27(11-8-19)18(30)28-9-6-16(25-28)17(24)29/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H2,24,29)
InChIKeyLGLBLYDGFHKHSO-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.96
Rot. Bonds4

About 1-[4-methyl-4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide

1-[4-methyl-4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide (PubChem CID 135384261) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is 1-[4-methyl-4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-methyl-4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide
PubChem CID135384261
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC Name1-[4-methyl-4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C1(C)CCN(C(=O)n2ccc(C(N)=O)n2)CC1
InChIInChI=1S/C20H24F3N5O2/c1-19(26(2)13-14-4-3-5-15(12-14)20(21,22)23)7-10-27(11-8-19)18(30)28-9-6-16(25-28)17(24)29/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H2,24,29)
InChIKeyLGLBLYDGFHKHSO-UHFFFAOYSA-N
XLogP2.96
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[4-methyl-4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide (CID 135384261) is 1-[4-methyl-4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-methyl-4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-methyl-4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide is CN(Cc1cccc(C(F)(F)F)c1)C1(C)CCN(C(=O)n2ccc(C(N)=O)n2)CC1.
What is the InChIKey of 1-[4-methyl-4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide?
The InChIKey is LGLBLYDGFHKHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c1-19(26(2)13-14-4-3-5-15(12-14)20(21,22)23)7-10-27(11-8-19)18(30)28-9-6-16(25-28)17(24)29/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H2,24,29).
What are the key properties of 1-[4-methyl-4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide?
1-[4-methyl-4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide is sourced from PubChem (CID 135384261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).