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

C20H19F3N4OS — CID 11582523

IUPACN-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)C1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H19F3N4OS/c21-20(22,23)14-3-1-4-15(11-14)27-8-6-13(7-9-27)19(28)24-18-12-16(25-26-18)17-5-2-10-29-17/h1-5,10-13H,6-9H2,(H2,24,25,26,28)
InChIKeyFNHAUZZVAIYZLD-UHFFFAOYSA-N
MW420.46 g/mol
LogP5.01
Rot. Bonds4

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

N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 11582523) has the molecular formula C20H19F3N4OS and a molecular weight of 420.46 g/mol. Its IUPAC name is N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID11582523
Molecular FormulaC20H19F3N4OS
Molecular Weight420.46 g/mol
Exact Mass420.12
IUPAC NameN-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)C1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H19F3N4OS/c21-20(22,23)14-3-1-4-15(11-14)27-8-6-13(7-9-27)19(28)24-18-12-16(25-26-18)17-5-2-10-29-17/h1-5,10-13H,6-9H2,(H2,24,25,26,28)
InChIKeyFNHAUZZVAIYZLD-UHFFFAOYSA-N
XLogP5.01
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.46
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 11582523) is N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1cc(-c2cccs2)[nH]n1)C1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is FNHAUZZVAIYZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4OS/c21-20(22,23)14-3-1-4-15(11-14)27-8-6-13(7-9-27)19(28)24-18-12-16(25-26-18)17-5-2-10-29-17/h1-5,10-13H,6-9H2,(H2,24,25,26,28).
What are the key properties of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 11582523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).