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

C20H19F3N4O2 — CID 11704119

IUPACN-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(-c2ccco2)[nH]n1)C1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H19F3N4O2/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)
InChIKeyNAYDNXDLXJRTPN-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.54
Rot. Bonds4

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

N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 11704119) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID11704119
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC NameN-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cc(-c2ccco2)[nH]n1)C1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H19F3N4O2/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)
InChIKeyNAYDNXDLXJRTPN-UHFFFAOYSA-N
XLogP4.54
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 11704119) is N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1cc(-c2ccco2)[nH]n1)C1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is NAYDNXDLXJRTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/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-(furan-2-yl)-1H-pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 11704119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).