N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-6-oxopiperidine-3-carboxamide

C22H18F4N4O3 — CID 89476909

IUPACN-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3cccc(F)c3)n2)CN1
InChIInChI=1S/C22H18F4N4O3/c23-15-4-2-5-16(10-15)30-18(13-3-1-6-17(9-13)33-22(24,25)26)11-19(29-30)28-21(32)14-7-8-20(31)27-12-14/h1-6,9-11,14H,7-8,12H2,(H,27,31)(H,28,29,32)
InChIKeyPLSULCDYOHUQFT-UHFFFAOYSA-N
MW462.40 g/mol
LogP4.04
Rot. Bonds5

About N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-6-oxopiperidine-3-carboxamide

N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-6-oxopiperidine-3-carboxamide (PubChem CID 89476909) has the molecular formula C22H18F4N4O3 and a molecular weight of 462.40 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-6-oxopiperidine-3-carboxamide
PubChem CID89476909
Molecular FormulaC22H18F4N4O3
Molecular Weight462.40 g/mol
Exact Mass462.13
IUPAC NameN-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3cccc(F)c3)n2)CN1
InChIInChI=1S/C22H18F4N4O3/c23-15-4-2-5-16(10-15)30-18(13-3-1-6-17(9-13)33-22(24,25)26)11-19(29-30)28-21(32)14-7-8-20(31)27-12-14/h1-6,9-11,14H,7-8,12H2,(H,27,31)(H,28,29,32)
InChIKeyPLSULCDYOHUQFT-UHFFFAOYSA-N
XLogP4.04
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.40
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 162540510
(3R)-N-[1-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 90657003
(3S)-N-[1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476956
1-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]thiazinane-4-carboxamide
CID 130286593
1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine;(3R,4R)-N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide;(3R,4R)-4-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 158410213
(3R)-5-oxo-N-[1-phenyl-5-[3-(3,3,3-trifluoropropoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 90657001
(3S)-N-[5-[3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476932
(3S)-5-oxo-N-[1-phenyl-5-[3-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 89476715
(3S)-N-[1-(3-hydroxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476601
(3S)-N-[1-(3-chlorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89477020
(3S)-N-[5-[3-fluoro-5-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 71287884
(3R,4R)-N-[5-[3-[1,1-bis(phosphanyl)ethoxy]phenyl]-1-(3-phosphanylphenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
CID 170052467

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-6-oxopiperidine-3-carboxamide (CID 89476909) is N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3cccc(F)c3)n2)CN1.
What is the InChIKey of N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-6-oxopiperidine-3-carboxamide?
The InChIKey is PLSULCDYOHUQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N4O3/c23-15-4-2-5-16(10-15)30-18(13-3-1-6-17(9-13)33-22(24,25)26)11-19(29-30)28-21(32)14-7-8-20(31)27-12-14/h1-6,9-11,14H,7-8,12H2,(H,27,31)(H,28,29,32).
What are the key properties of N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-6-oxopiperidine-3-carboxamide?
N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-6-oxopiperidine-3-carboxamide has a molecular weight of 462.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 89476909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).