[3-[3-(furan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone

C24H25F3N4O3 — CID 141241545

IUPAC[3-[3-(furan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2cc(-c3ccco3)n[nH]2)C1
InChIInChI=1S/C24H25F3N4O3/c25-24(26,27)19-5-3-16(4-6-19)17-12-18(20-13-21(29-28-20)22-2-1-9-34-22)15-31(14-17)23(32)30-7-10-33-11-8-30/h1-6,9,13,17-18H,7-8,10-12,14-15H2,(H,28,29)
InChIKeyKZOJKHLDNFHEDE-UHFFFAOYSA-N
MW474.48 g/mol
LogP4.71
Rot. Bonds3

About [3-[3-(furan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone

[3-[3-(furan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 141241545) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is [3-[3-(furan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[3-(furan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID141241545
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC Name[3-[3-(furan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2cc(-c3ccco3)n[nH]2)C1
InChIInChI=1S/C24H25F3N4O3/c25-24(26,27)19-5-3-16(4-6-19)17-12-18(20-13-21(29-28-20)22-2-1-9-34-22)15-31(14-17)23(32)30-7-10-33-11-8-30/h1-6,9,13,17-18H,7-8,10-12,14-15H2,(H,28,29)
InChIKeyKZOJKHLDNFHEDE-UHFFFAOYSA-N
XLogP4.71
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-furyl)-1H-pyrazol-5-yl]piperidine
CID 2764503
N-(3-chlorophenyl)-4-[5-(2-furyl)-1H-pyrazol-3-yl]tetrahydro-1(2H)-pyridinecarboxamide
CID 1488670
2-{4-[5-(2-furyl)-1H-pyrazol-3-yl]piperidino}acetonitrile
CID 2764506
[4-(o-Fluorophenoxy)-1,4'-bipiperidyl-1'-yl][3-(2-furyl)-5-pyrazolyl]methanone
CID 86264459
(3-(4-fluorophenyl)azepan-1-yl)(3-(furan-2-yl)-1H-pyrazol-5-yl)methanone
CID 76147191
(4-((benzyloxy)methyl)piperidin-1-yl)(3-(furan-2-yl)-1H-pyrazol-5-yl)methanone
CID 49677772
N-(furan-2-ylmethyl)-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 53185519
5-(furan-2-yl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 101866384
3-(3-(furan-2-yl)-1H-pyrazole-5-carbonyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
CID 45504968
(3-(furan-2-yl)-1H-pyrazol-5-yl)(4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl)methanone
CID 45587755
[3-(2-Furyl)-5-pyrazolyl](spiro[chroman-2,4'-piperidin]-1'-yl)methanone
CID 71801252
(4-(2-((benzyloxy)methyl)pyrrolidin-1-yl)piperidin-1-yl)(3-(furan-2-yl)-1H-pyrazol-5-yl)methanone
CID 86264522

Frequently Asked Questions

What is the IUPAC name of [3-[3-(furan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[3-(furan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 141241545) is [3-[3-(furan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[3-(furan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[3-(furan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2cc(-c3ccco3)n[nH]2)C1.
What is the InChIKey of [3-[3-(furan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is KZOJKHLDNFHEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c25-24(26,27)19-5-3-16(4-6-19)17-12-18(20-13-21(29-28-20)22-2-1-9-34-22)15-31(14-17)23(32)30-7-10-33-11-8-30/h1-6,9,13,17-18H,7-8,10-12,14-15H2,(H,28,29).
What are the key properties of [3-[3-(furan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
[3-[3-(furan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 474.48 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(furan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 141241545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).