4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C19H23F3N4O — CID 71781240

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCc1cc(C)n(CC2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C19H23F3N4O/c1-13-11-14(2)26(24-13)12-15-7-9-25(10-8-15)18(27)23-17-6-4-3-5-16(17)19(20,21)22/h3-6,11,15H,7-10,12H2,1-2H3,(H,23,27)
InChIKeyJBYSNMAUHUXTTH-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.46
Rot. Bonds3

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 71781240) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID71781240
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCc1cc(C)n(CC2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)n1
InChIInChI=1S/C19H23F3N4O/c1-13-11-14(2)26(24-13)12-15-7-9-25(10-8-15)18(27)23-17-6-4-3-5-16(17)19(20,21)22/h3-6,11,15H,7-10,12H2,1-2H3,(H,23,27)
InChIKeyJBYSNMAUHUXTTH-UHFFFAOYSA-N
XLogP4.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 71781240) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is Cc1cc(C)n(CC2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is JBYSNMAUHUXTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O/c1-13-11-14(2)26(24-13)12-15-7-9-25(10-8-15)18(27)23-17-6-4-3-5-16(17)19(20,21)22/h3-6,11,15H,7-10,12H2,1-2H3,(H,23,27).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 71781240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).