ethyl (3R,4S,5R)-1'-methyl-2'-oxo-3-(trifluoromethyl)spiro[3,4-dihydropyrazole-5,3'-indole]-4-carboxylate

C15H14F3N3O3 — CID 139093178

IUPACethyl (3R,4S,5R)-1'-methyl-2'-oxo-3-(trifluoromethyl)spiro[3,4-dihydropyrazole-5,3'-indole]-4-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](C(F)(F)F)N=N[C@]12C(=O)N(C)c1ccccc12
InChIInChI=1S/C15H14F3N3O3/c1-3-24-12(22)10-11(15(16,17)18)19-20-14(10)8-6-4-5-7-9(8)21(2)13(14)23/h4-7,10-11H,3H2,1-2H3/t10-,11-,14+/m1/s1
InChIKeyDWZFWANVNWGJFJ-GYSYKLTISA-N
MW341.29 g/mol
LogP2.43
Rot. Bonds2

About ethyl (3R,4S,5R)-1'-methyl-2'-oxo-3-(trifluoromethyl)spiro[3,4-dihydropyrazole-5,3'-indole]-4-carboxylate

ethyl (3R,4S,5R)-1'-methyl-2'-oxo-3-(trifluoromethyl)spiro[3,4-dihydropyrazole-5,3'-indole]-4-carboxylate (PubChem CID 139093178) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is ethyl (3R,4S,5R)-1'-methyl-2'-oxo-3-(trifluoromethyl)spiro[3,4-dihydropyrazole-5,3'-indole]-4-carboxylate.

Molecular Properties

Compound Nameethyl (3R,4S,5R)-1'-methyl-2'-oxo-3-(trifluoromethyl)spiro[3,4-dihydropyrazole-5,3'-indole]-4-carboxylate
PubChem CID139093178
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Nameethyl (3R,4S,5R)-1'-methyl-2'-oxo-3-(trifluoromethyl)spiro[3,4-dihydropyrazole-5,3'-indole]-4-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](C(F)(F)F)N=N[C@]12C(=O)N(C)c1ccccc12
InChIInChI=1S/C15H14F3N3O3/c1-3-24-12(22)10-11(15(16,17)18)19-20-14(10)8-6-4-5-7-9(8)21(2)13(14)23/h4-7,10-11H,3H2,1-2H3/t10-,11-,14+/m1/s1
InChIKeyDWZFWANVNWGJFJ-GYSYKLTISA-N
XLogP2.43
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (3R,4S,5R)-1'-methyl-2'-oxo-3-(trifluoromethyl)spiro[3,4-dihydropyrazole-5,3'-indole]-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

Methyl 2-oxo-1,1',2,2',5',6',7',7'a-octahydrospiro(indole-3,3'-pyrrolizine)-2'-carboxylate
CID 13586374
tert-butyl 2-(1-methyl-2-oxo-3H-indol-3-yl)acetate
CID 134153485
Ethyl 2-(1-acetyl-3-formamido-2-oxoindol-3-yl)acetate
CID 156011479
diethyl 2-(2-methylpropyl)-2'-oxospiro[1,2-dihydropyrrole-5,3'-1H-indole]-3,4-dicarboxylate
CID 171356473
ethyl (3R,4S)-1',5'-dimethyl-2'-oxo-3-(trifluoromethyl)spiro[3,4-dihydropyrazole-5,3'-indole]-4-carboxylate
CID 134949585
ethyl (4R)-1',5'-dimethyl-2'-oxo-3-(trifluoromethyl)spiro[1,4-dihydropyrazole-5,3'-indole]-4-carboxylate
CID 134949586
ethyl 2,2-difluoro-2-[(3R)-2-oxo-3-(3-oxopyrazolidin-1-yl)-1H-indol-3-yl]acetate
CID 139189498
ethyl (3S,4R,5S)-3-(difluoromethyl)-1'-methyl-2'-oxospiro[3,4-dihydropyrazole-5,3'-indole]-4-carboxylate
CID 139193008
ethyl (3R,4S,5R)-3-(difluoromethyl)-2'-oxo-1'-phenylspiro[3,4-dihydropyrazole-5,3'-indole]-4-carboxylate
CID 139193010
ethyl (3'S,4'S,5'S)-1-benzyl-3'-cyano-2-oxo-4'-phenyl-5'-(trifluoromethyl)spiro[indole-3,2'-pyrrolidine]-3'-carboxylate
CID 166449148
ethyl (3R,3'R)-3'-cyano-5-fluoro-1,1'-dimethyl-2-oxospiro[indole-3,4'-pyrrolidine]-3'-carboxylate
CID 168349600
methyl 2-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]acetate
CID 176438621

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4S,5R)-1'-methyl-2'-oxo-3-(trifluoromethyl)spiro[3,4-dihydropyrazole-5,3'-indole]-4-carboxylate?
The IUPAC name of ethyl (3R,4S,5R)-1'-methyl-2'-oxo-3-(trifluoromethyl)spiro[3,4-dihydropyrazole-5,3'-indole]-4-carboxylate (CID 139093178) is ethyl (3R,4S,5R)-1'-methyl-2'-oxo-3-(trifluoromethyl)spiro[3,4-dihydropyrazole-5,3'-indole]-4-carboxylate.
What is the SMILES notation for ethyl (3R,4S,5R)-1'-methyl-2'-oxo-3-(trifluoromethyl)spiro[3,4-dihydropyrazole-5,3'-indole]-4-carboxylate?
The canonical SMILES for ethyl (3R,4S,5R)-1'-methyl-2'-oxo-3-(trifluoromethyl)spiro[3,4-dihydropyrazole-5,3'-indole]-4-carboxylate is CCOC(=O)[C@H]1[C@H](C(F)(F)F)N=N[C@]12C(=O)N(C)c1ccccc12.
What is the InChIKey of ethyl (3R,4S,5R)-1'-methyl-2'-oxo-3-(trifluoromethyl)spiro[3,4-dihydropyrazole-5,3'-indole]-4-carboxylate?
The InChIKey is DWZFWANVNWGJFJ-GYSYKLTISA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-3-24-12(22)10-11(15(16,17)18)19-20-14(10)8-6-4-5-7-9(8)21(2)13(14)23/h4-7,10-11H,3H2,1-2H3/t10-,11-,14+/m1/s1.
What are the key properties of ethyl (3R,4S,5R)-1'-methyl-2'-oxo-3-(trifluoromethyl)spiro[3,4-dihydropyrazole-5,3'-indole]-4-carboxylate?
ethyl (3R,4S,5R)-1'-methyl-2'-oxo-3-(trifluoromethyl)spiro[3,4-dihydropyrazole-5,3'-indole]-4-carboxylate has a molecular weight of 341.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4S,5R)-1'-methyl-2'-oxo-3-(trifluoromethyl)spiro[3,4-dihydropyrazole-5,3'-indole]-4-carboxylate is sourced from PubChem (CID 139093178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).