[3-(3-tert-butyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone

C24H31F3N4O2 — CID 141241339

IUPAC[3-(3-tert-butyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)c1cc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCOCC3)C2)[nH]n1
InChIInChI=1S/C24H31F3N4O2/c1-23(2,3)21-13-20(28-29-21)18-12-17(16-4-6-19(7-5-16)24(25,26)27)14-31(15-18)22(32)30-8-10-33-11-9-30/h4-7,13,17-18H,8-12,14-15H2,1-3H3,(H,28,29)
InChIKeyRWCRJAZAZLPDFH-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.75
Rot. Bonds2

About [3-(3-tert-butyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone

[3-(3-tert-butyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 141241339) has the molecular formula C24H31F3N4O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is [3-(3-tert-butyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(3-tert-butyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID141241339
Molecular FormulaC24H31F3N4O2
Molecular Weight464.53 g/mol
Exact Mass464.24
IUPAC Name[3-(3-tert-butyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)c1cc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCOCC3)C2)[nH]n1
InChIInChI=1S/C24H31F3N4O2/c1-23(2,3)21-13-20(28-29-21)18-12-17(16-4-6-19(7-5-16)24(25,26)27)14-31(15-18)22(32)30-8-10-33-11-9-30/h4-7,13,17-18H,8-12,14-15H2,1-3H3,(H,28,29)
InChIKeyRWCRJAZAZLPDFH-UHFFFAOYSA-N
XLogP4.75
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N~1~-(2-methoxyethyl)tetrahydro-1(2H)-pyridinecarboxamide
CID 53185327
N~1~-(2-Methoxyethyl)-4-(3-phenyl-1H-pyrazol-5-YL)tetrahydro-1(2H)-pyridinecarboxamide
CID 53185320
N-(2-Methoxyethyl)-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53185477
N~5~-(2-methoxyethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53185521
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 53185305
tert-butyl (2S)-2-[3-[(3S,5S)-1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylate
CID 141241322
(4-hydroxypiperidin-1-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 141241323
[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-methoxypiperidin-1-yl)methanone
CID 141241332
(2,2-dimethylmorpholin-4-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 141241333
[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-5-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 141241340
[3-[3-(4-methyl-3-pyridinyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 141241343
[3-[3-(2-aminopropan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride
CID 141241347

Frequently Asked Questions

What is the IUPAC name of [3-(3-tert-butyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(3-tert-butyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 141241339) is [3-(3-tert-butyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(3-tert-butyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(3-tert-butyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone is CC(C)(C)c1cc(C2CC(c3ccc(C(F)(F)F)cc3)CN(C(=O)N3CCOCC3)C2)[nH]n1.
What is the InChIKey of [3-(3-tert-butyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is RWCRJAZAZLPDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N4O2/c1-23(2,3)21-13-20(28-29-21)18-12-17(16-4-6-19(7-5-16)24(25,26)27)14-31(15-18)22(32)30-8-10-33-11-9-30/h4-7,13,17-18H,8-12,14-15H2,1-3H3,(H,28,29).
What are the key properties of [3-(3-tert-butyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
[3-(3-tert-butyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 464.53 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-tert-butyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 141241339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).