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

C19H22F3N5O2 — CID 135384533

IUPAC1-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)n2ccc(C(N)=O)n2)CC1
InChIInChI=1S/C19H22F3N5O2/c1-25(12-13-3-2-4-14(11-13)19(20,21)22)15-5-8-26(9-6-15)18(29)27-10-7-16(24-27)17(23)28/h2-4,7,10-11,15H,5-6,8-9,12H2,1H3,(H2,23,28)
InChIKeyXTQBYXHXOKZVMA-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.57
Rot. Bonds4

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

1-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide (PubChem CID 135384533) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is 1-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide
PubChem CID135384533
Molecular FormulaC19H22F3N5O2
Molecular Weight409.41 g/mol
Exact Mass409.17
IUPAC Name1-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)n2ccc(C(N)=O)n2)CC1
InChIInChI=1S/C19H22F3N5O2/c1-25(12-13-3-2-4-14(11-13)19(20,21)22)15-5-8-26(9-6-15)18(29)27-10-7-16(24-27)17(23)28/h2-4,7,10-11,15H,5-6,8-9,12H2,1H3,(H2,23,28)
InChIKeyXTQBYXHXOKZVMA-UHFFFAOYSA-N
XLogP2.57
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide (CID 135384533) is 1-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide is CN(Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)n2ccc(C(N)=O)n2)CC1.
What is the InChIKey of 1-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide?
The InChIKey is XTQBYXHXOKZVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O2/c1-25(12-13-3-2-4-14(11-13)19(20,21)22)15-5-8-26(9-6-15)18(29)27-10-7-16(24-27)17(23)28/h2-4,7,10-11,15H,5-6,8-9,12H2,1H3,(H2,23,28).
What are the key properties of 1-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide?
1-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide has a molecular weight of 409.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidine-1-carbonyl]pyrazole-3-carboxamide is sourced from PubChem (CID 135384533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).