N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C20H25F3N4O — CID 120930774

IUPACN-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1(n2cccn2)CCNCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H25F3N4O/c1-18(2,15-5-3-6-16(13-15)20(21,22)23)14-25-17(28)19(7-10-24-11-8-19)27-12-4-9-26-27/h3-6,9,12-13,24H,7-8,10-11,14H2,1-2H3,(H,25,28)
InChIKeyXUSPQAMTZSLYBB-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.07
Rot. Bonds5

About N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120930774) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120930774
Molecular FormulaC20H25F3N4O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC NameN-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1(n2cccn2)CCNCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H25F3N4O/c1-18(2,15-5-3-6-16(13-15)20(21,22)23)14-25-17(28)19(7-10-24-11-8-19)27-12-4-9-26-27/h3-6,9,12-13,24H,7-8,10-11,14H2,1-2H3,(H,25,28)
InChIKeyXUSPQAMTZSLYBB-UHFFFAOYSA-N
XLogP3.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120930774) is N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CC(C)(CNC(=O)C1(n2cccn2)CCNCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is XUSPQAMTZSLYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O/c1-18(2,15-5-3-6-16(13-15)20(21,22)23)14-25-17(28)19(7-10-24-11-8-19)27-12-4-9-26-27/h3-6,9,12-13,24H,7-8,10-11,14H2,1-2H3,(H,25,28).
What are the key properties of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120930774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).