methyl 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate

C17H19N3O3 — CID 168693996

IUPACmethyl 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2c(-c3ccccc3)c(C)nn2C)C1
InChIInChI=1S/C17H19N3O3/c1-11-15(12-7-5-4-6-8-12)16(19(2)18-11)20-10-13(9-14(20)21)17(22)23-3/h4-8,13H,9-10H2,1-3H3
InChIKeyIYJGNEPCYPELDB-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.92
Rot. Bonds3

About methyl 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168693996) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is methyl 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168693996
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Namemethyl 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2c(-c3ccccc3)c(C)nn2C)C1
InChIInChI=1S/C17H19N3O3/c1-11-15(12-7-5-4-6-8-12)16(19(2)18-11)20-10-13(9-14(20)21)17(22)23-3/h4-8,13H,9-10H2,1-3H3
InChIKeyIYJGNEPCYPELDB-UHFFFAOYSA-N
XLogP1.92
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-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

1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697091
methyl 1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 168694008
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl 1-(3-cyano-5-phenylfuran-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695010
methyl 1-(2-iodophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694888
methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
methyl 5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 50879609
methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate
CID 168695333
methyl (3S)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 94077585
methyl 1-(2-fluoro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694512
methyl 5-oxo-1-pyridin-3-ylpyrrolidine-3-carboxylate
CID 50873886
methyl 1-(3-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693768

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate (CID 168693996) is methyl 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2c(-c3ccccc3)c(C)nn2C)C1.
What is the InChIKey of methyl 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is IYJGNEPCYPELDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-15(12-7-5-4-6-8-12)16(19(2)18-11)20-10-13(9-14(20)21)17(22)23-3/h4-8,13H,9-10H2,1-3H3.
What are the key properties of methyl 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168693996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).