ethyl 1-[[4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole-4-carboxylate

C19H23N3O3 — CID 129097196

IUPACethyl 1-[[4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2ccc(CN3C[C@@H](C)CC3=O)cc2)c1
InChIInChI=1S/C19H23N3O3/c1-3-25-19(24)17-9-20-22(13-17)12-16-6-4-15(5-7-16)11-21-10-14(2)8-18(21)23/h4-7,9,13-14H,3,8,10-12H2,1-2H3/t14-/m0/s1
InChIKeyVKZBXLFFSIKGNG-AWEZNQCLSA-N
MW341.41 g/mol
LogP2.48
Rot. Bonds6

About ethyl 1-[[4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole-4-carboxylate

ethyl 1-[[4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole-4-carboxylate (PubChem CID 129097196) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 1-[[4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole-4-carboxylate
PubChem CID129097196
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl 1-[[4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2ccc(CN3C[C@@H](C)CC3=O)cc2)c1
InChIInChI=1S/C19H23N3O3/c1-3-25-19(24)17-9-20-22(13-17)12-16-6-4-15(5-7-16)11-21-10-14(2)8-18(21)23/h4-7,9,13-14H,3,8,10-12H2,1-2H3/t14-/m0/s1
InChIKeyVKZBXLFFSIKGNG-AWEZNQCLSA-N
XLogP2.48
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[[4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole-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

ethyl 1-[[4-[(4-oxo-3-azabicyclo[4.1.0]heptan-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxylate
CID 129097112
4-[(4-ethoxycarbonylpyrazol-1-yl)methyl]benzoic acid
CID 58081217
ethyl 1-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]pyrazole-4-carboxylate
CID 135353252
ethyl 1-[[4-(iodomethoxy)phenyl]methyl]pyrazole-4-carboxylate
CID 166964963
4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 63581482
ethyl 4-[4-[(2-oxo-4-sulfanylpyrrolidin-1-yl)methyl]phenoxy]benzoate
CID 22293109
ethyl 1-[[4-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]methyl]pyrazole-4-carboxylate
CID 156771833
ethyl 1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrazole-4-carboxylate
CID 175986068
ethyl 1-[[4-(1-dimethylsilyloxy-2,2-dimethylpropyl)phenyl]methyl]pyrazole-4-carboxylate
CID 173012103
1-ethylpyrazole-4-carboxylic acid;ethyl 1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxylate
CID 175889166
ethyl 1-[(3,4,5-trifluorophenyl)methyl]pyrazole-4-carboxylate
CID 170757143
ethyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 52560491

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[[4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole-4-carboxylate (CID 129097196) is ethyl 1-[[4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[[4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[[4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(Cc2ccc(CN3C[C@@H](C)CC3=O)cc2)c1.
What is the InChIKey of ethyl 1-[[4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole-4-carboxylate?
The InChIKey is VKZBXLFFSIKGNG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-25-19(24)17-9-20-22(13-17)12-16-6-4-15(5-7-16)11-21-10-14(2)8-18(21)23/h4-7,9,13-14H,3,8,10-12H2,1-2H3/t14-/m0/s1.
What are the key properties of ethyl 1-[[4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole-4-carboxylate?
ethyl 1-[[4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole-4-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 129097196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).