2-phenyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]morpholine-4-carboxamide

C24H24F3N5O3 — CID 66686871

IUPAC2-phenyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]morpholine-4-carboxamide
SMILESO=C(NCCNC(=O)N1CCOC(c2ccccc2)C1)c1cn(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C24H24F3N5O3/c25-24(26,27)21-19(15-32(30-21)18-9-5-2-6-10-18)22(33)28-11-12-29-23(34)31-13-14-35-20(16-31)17-7-3-1-4-8-17/h1-10,15,20H,11-14,16H2,(H,28,33)(H,29,34)
InChIKeyPRRZHQAWBNXKBR-UHFFFAOYSA-N
MW487.48 g/mol
LogP3.40
Rot. Bonds6

About 2-phenyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]morpholine-4-carboxamide

2-phenyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]morpholine-4-carboxamide (PubChem CID 66686871) has the molecular formula C24H24F3N5O3 and a molecular weight of 487.48 g/mol. Its IUPAC name is 2-phenyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]morpholine-4-carboxamide
PubChem CID66686871
Molecular FormulaC24H24F3N5O3
Molecular Weight487.48 g/mol
Exact Mass487.18
IUPAC Name2-phenyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]morpholine-4-carboxamide
SMILESO=C(NCCNC(=O)N1CCOC(c2ccccc2)C1)c1cn(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C24H24F3N5O3/c25-24(26,27)21-19(15-32(30-21)18-9-5-2-6-10-18)22(33)28-11-12-29-23(34)31-13-14-35-20(16-31)17-7-3-1-4-8-17/h1-10,15,20H,11-14,16H2,(H,28,33)(H,29,34)
InChIKeyPRRZHQAWBNXKBR-UHFFFAOYSA-N
XLogP3.40
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]morpholine-4-carboxamide?
The IUPAC name of 2-phenyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]morpholine-4-carboxamide (CID 66686871) is 2-phenyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]morpholine-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]morpholine-4-carboxamide is O=C(NCCNC(=O)N1CCOC(c2ccccc2)C1)c1cn(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 2-phenyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]morpholine-4-carboxamide?
The InChIKey is PRRZHQAWBNXKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O3/c25-24(26,27)21-19(15-32(30-21)18-9-5-2-6-10-18)22(33)28-11-12-29-23(34)31-13-14-35-20(16-31)17-7-3-1-4-8-17/h1-10,15,20H,11-14,16H2,(H,28,33)(H,29,34).
What are the key properties of 2-phenyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]morpholine-4-carboxamide?
2-phenyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]morpholine-4-carboxamide has a molecular weight of 487.48 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 66686871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).