4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C23H23F3N4O2 — CID 71839642

IUPAC4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)Nc4ccccc4C(F)(F)F)CC3)[nH]n2)c1
InChIInChI=1S/C23H23F3N4O2/c1-32-17-6-4-5-16(13-17)21-14-20(28-29-21)15-9-11-30(12-10-15)22(31)27-19-8-3-2-7-18(19)23(24,25)26/h2-8,13-15H,9-12H2,1H3,(H,27,31)(H,28,29)
InChIKeyUIJAUOCYMYTGAK-UHFFFAOYSA-N
MW444.46 g/mol
LogP5.52
Rot. Bonds4

About 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 71839642) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID71839642
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC Name4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)Nc4ccccc4C(F)(F)F)CC3)[nH]n2)c1
InChIInChI=1S/C23H23F3N4O2/c1-32-17-6-4-5-16(13-17)21-14-20(28-29-21)15-9-11-30(12-10-15)22(31)27-19-8-3-2-7-18(19)23(24,25)26/h2-8,13-15H,9-12H2,1H3,(H,27,31)(H,28,29)
InChIKeyUIJAUOCYMYTGAK-UHFFFAOYSA-N
XLogP5.52
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.46
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 71839642) is 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is COc1cccc(-c2cc(C3CCN(C(=O)Nc4ccccc4C(F)(F)F)CC3)[nH]n2)c1.
What is the InChIKey of 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is UIJAUOCYMYTGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c1-32-17-6-4-5-16(13-17)21-14-20(28-29-21)15-9-11-30(12-10-15)22(31)27-19-8-3-2-7-18(19)23(24,25)26/h2-8,13-15H,9-12H2,1H3,(H,27,31)(H,28,29).
What are the key properties of 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 444.46 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 71839642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).