N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide

C23H22F4N4O3 — CID 87679784

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)N1CCOC(COc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C23H22F4N4O3/c24-18-6-4-16(5-7-18)12-31-13-19(11-28-31)29-22(32)30-8-9-33-21(14-30)15-34-20-3-1-2-17(10-20)23(25,26)27/h1-7,10-11,13,21H,8-9,12,14-15H2,(H,29,32)
InChIKeyBOXSISVYMMFWFR-UHFFFAOYSA-N
MW478.45 g/mol
LogP4.40
Rot. Bonds6

About N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide (PubChem CID 87679784) has the molecular formula C23H22F4N4O3 and a molecular weight of 478.45 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide
PubChem CID87679784
Molecular FormulaC23H22F4N4O3
Molecular Weight478.45 g/mol
Exact Mass478.16
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)N1CCOC(COc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C23H22F4N4O3/c24-18-6-4-16(5-7-18)12-31-13-19(11-28-31)29-22(32)30-8-9-33-21(14-30)15-34-20-3-1-2-17(10-20)23(25,26)27/h1-7,10-11,13,21H,8-9,12,14-15H2,(H,29,32)
InChIKeyBOXSISVYMMFWFR-UHFFFAOYSA-N
XLogP4.40
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-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 N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide (CID 87679784) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide is O=C(Nc1cnn(Cc2ccc(F)cc2)c1)N1CCOC(COc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide?
The InChIKey is BOXSISVYMMFWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N4O3/c24-18-6-4-16(5-7-18)12-31-13-19(11-28-31)29-22(32)30-8-9-33-21(14-30)15-34-20-3-1-2-17(10-20)23(25,26)27/h1-7,10-11,13,21H,8-9,12,14-15H2,(H,29,32).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide has a molecular weight of 478.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 87679784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).