1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide

C24H25F3N4O2 — CID 71465985

IUPAC1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)nn1CCCN1CCOCC1
InChIInChI=1S/C24H25F3N4O2/c25-24(26,27)19-8-4-9-20(16-19)28-23(32)22-17-21(18-6-2-1-3-7-18)29-31(22)11-5-10-30-12-14-33-15-13-30/h1-4,6-9,16-17H,5,10-15H2,(H,28,32)
InChIKeyJVGCUQBVYXBRCP-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.54
Rot. Bonds7

About 1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide

1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide (PubChem CID 71465985) has the molecular formula C24H25F3N4O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide
PubChem CID71465985
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC Name1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)nn1CCCN1CCOCC1
InChIInChI=1S/C24H25F3N4O2/c25-24(26,27)19-8-4-9-20(16-19)28-23(32)22-17-21(18-6-2-1-3-7-18)29-31(22)11-5-10-30-12-14-33-15-13-30/h1-4,6-9,16-17H,5,10-15H2,(H,28,32)
InChIKeyJVGCUQBVYXBRCP-UHFFFAOYSA-N
XLogP4.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide (CID 71465985) is 1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)nn1CCCN1CCOCC1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide?
The InChIKey is JVGCUQBVYXBRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c25-24(26,27)19-8-4-9-20(16-19)28-23(32)22-17-21(18-6-2-1-3-7-18)29-31(22)11-5-10-30-12-14-33-15-13-30/h1-4,6-9,16-17H,5,10-15H2,(H,28,32).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide?
1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide has a molecular weight of 458.48 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71465985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).