5-amino-3-[4-[2-oxo-3-[3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-yl]propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

C25H22F3N5O3 — CID 164988000

IUPAC5-amino-3-[4-[2-oxo-3-[3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-yl]propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Cc3cc(-c4c(F)cc(F)cc4F)no3)cc2)c(C(N)=O)c1N
InChIInChI=1S/C25H22F3N5O3/c1-12(2)33-24(29)22(25(30)35)23(31-33)14-5-3-13(4-6-14)7-16(34)10-17-11-20(32-36-17)21-18(27)8-15(26)9-19(21)28/h3-6,8-9,11-12H,7,10,29H2,1-2H3,(H2,30,35)
InChIKeyGLEHSRRQZGCUHX-UHFFFAOYSA-N
MW497.48 g/mol
LogP4.24
Rot. Bonds8

About 5-amino-3-[4-[2-oxo-3-[3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-yl]propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[4-[2-oxo-3-[3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-yl]propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 164988000) has the molecular formula C25H22F3N5O3 and a molecular weight of 497.48 g/mol. Its IUPAC name is 5-amino-3-[4-[2-oxo-3-[3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-yl]propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-[2-oxo-3-[3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-yl]propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID164988000
Molecular FormulaC25H22F3N5O3
Molecular Weight497.48 g/mol
Exact Mass497.17
IUPAC Name5-amino-3-[4-[2-oxo-3-[3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-yl]propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Cc3cc(-c4c(F)cc(F)cc4F)no3)cc2)c(C(N)=O)c1N
InChIInChI=1S/C25H22F3N5O3/c1-12(2)33-24(29)22(25(30)35)23(31-33)14-5-3-13(4-6-14)7-16(34)10-17-11-20(32-36-17)21-18(27)8-15(26)9-19(21)28/h3-6,8-9,11-12H,7,10,29H2,1-2H3,(H2,30,35)
InChIKeyGLEHSRRQZGCUHX-UHFFFAOYSA-N
XLogP4.24
TPSA130.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-amino-3-[4-[2-oxo-3-[3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-yl]propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide with MolForge

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Related Compounds

5-amino-3-[4-[3-(3-cyclopentyl-1,2-oxazol-5-yl)-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164971281
5-amino-3-[4-[3-[3-(2,2-dimethylcyclopropyl)-1,2-oxazol-5-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 165037193
5-amino-3-[4-[3-[3-(1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 165090926
5-amino-3-[4-[2-oxo-3-(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164976160
5-amino-3-[4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163291915
5-amino-3-[4-[2-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 165091400
5-amino-3-[4-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164765399
5-amino-3-[4-[2-[(3-benzyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163292118
5-amino-3-[4-[2-[[3-(4-fluorobutyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 167059300
5-amino-3-[4-[2-oxo-2-[[3-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164765656
1-[4-[5-amino-1-(1-hydroxypropan-2-yl)-4-isocyanopyrazol-3-yl]phenyl]-3-[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-2-one
CID 164971255
5-amino-3-[4-[2-[[3-(1-bicyclo[1.1.0]butanylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 167058943

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[2-oxo-3-[3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-yl]propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-[2-oxo-3-[3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-yl]propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 164988000) is 5-amino-3-[4-[2-oxo-3-[3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-yl]propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-[2-oxo-3-[3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-yl]propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-[2-oxo-3-[3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-yl]propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Cc3cc(-c4c(F)cc(F)cc4F)no3)cc2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-[4-[2-oxo-3-[3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-yl]propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is GLEHSRRQZGCUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O3/c1-12(2)33-24(29)22(25(30)35)23(31-33)14-5-3-13(4-6-14)7-16(34)10-17-11-20(32-36-17)21-18(27)8-15(26)9-19(21)28/h3-6,8-9,11-12H,7,10,29H2,1-2H3,(H2,30,35).
What are the key properties of 5-amino-3-[4-[2-oxo-3-[3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-yl]propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[4-[2-oxo-3-[3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-yl]propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 497.48 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-[2-oxo-3-[3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-yl]propyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 164988000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).