tert-butyl 2-[4-[[1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]phenyl]morpholine-4-carboxylate

C25H27FN4O4 — CID 90048132

IUPACtert-butyl 2-[4-[[1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]phenyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(c2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3)cc2)C1
InChIInChI=1S/C25H27FN4O4/c1-25(2,3)34-24(32)29-12-13-33-22(16-29)17-4-8-20(9-5-17)28-23(31)18-14-27-30(15-18)21-10-6-19(26)7-11-21/h4-11,14-15,22H,12-13,16H2,1-3H3,(H,28,31)
InChIKeyDPCDNJSCMRFGTP-UHFFFAOYSA-N
MW466.51 g/mol
LogP4.57
Rot. Bonds4

About tert-butyl 2-[4-[[1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]phenyl]morpholine-4-carboxylate

tert-butyl 2-[4-[[1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]phenyl]morpholine-4-carboxylate (PubChem CID 90048132) has the molecular formula C25H27FN4O4 and a molecular weight of 466.51 g/mol. Its IUPAC name is tert-butyl 2-[4-[[1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]phenyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[4-[[1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]phenyl]morpholine-4-carboxylate
PubChem CID90048132
Molecular FormulaC25H27FN4O4
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC Nametert-butyl 2-[4-[[1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]phenyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(c2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3)cc2)C1
InChIInChI=1S/C25H27FN4O4/c1-25(2,3)34-24(32)29-12-13-33-22(16-29)17-4-8-20(9-5-17)28-23(31)18-14-27-30(15-18)21-10-6-19(26)7-11-21/h4-11,14-15,22H,12-13,16H2,1-3H3,(H,28,31)
InChIKeyDPCDNJSCMRFGTP-UHFFFAOYSA-N
XLogP4.57
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[4-[[1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]phenyl]morpholine-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl (2S)-2-[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]morpholine-4-carboxylate
CID 66705835
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
tert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
CID 66618582
N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide
CID 90047286
tert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate
CID 123673146
tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate
CID 171653389
tert-butyl 2-(1-hydroxypyridin-1-ium-4-yl)morpholine-4-carboxylate
CID 176950779
tert-butyl 4-[4-[(4-fluorophenyl)carbamoyl]-1-(4-methylphenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46253477
tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
CID 16737894
tert-butyl (2R)-2-(3-fluoro-5-hydroxyphenyl)morpholine-4-carboxylate
CID 171653169
2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide
CID 55696920

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[[1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]phenyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[4-[[1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]phenyl]morpholine-4-carboxylate (CID 90048132) is tert-butyl 2-[4-[[1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]phenyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[4-[[1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]phenyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[4-[[1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]phenyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(c2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3)cc2)C1.
What is the InChIKey of tert-butyl 2-[4-[[1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]phenyl]morpholine-4-carboxylate?
The InChIKey is DPCDNJSCMRFGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4/c1-25(2,3)34-24(32)29-12-13-33-22(16-29)17-4-8-20(9-5-17)28-23(31)18-14-27-30(15-18)21-10-6-19(26)7-11-21/h4-11,14-15,22H,12-13,16H2,1-3H3,(H,28,31).
What are the key properties of tert-butyl 2-[4-[[1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]phenyl]morpholine-4-carboxylate?
tert-butyl 2-[4-[[1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]phenyl]morpholine-4-carboxylate has a molecular weight of 466.51 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[[1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]phenyl]morpholine-4-carboxylate is sourced from PubChem (CID 90048132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).