(5-oxopyrrolidin-2-yl)methyl 1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylate

C18H21N3O3 — CID 86782692

IUPAC(5-oxopyrrolidin-2-yl)methyl 1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylate
SMILESCc1cc(C)cc(-n2nc(C(=O)OCC3CCC(=O)N3)cc2C)c1
InChIInChI=1S/C18H21N3O3/c1-11-6-12(2)8-15(7-11)21-13(3)9-16(20-21)18(23)24-10-14-4-5-17(22)19-14/h6-9,14H,4-5,10H2,1-3H3,(H,19,22)
InChIKeyWCLGXIUTTQOQLP-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.23
Rot. Bonds4

About (5-oxopyrrolidin-2-yl)methyl 1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylate

(5-oxopyrrolidin-2-yl)methyl 1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylate (PubChem CID 86782692) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (5-oxopyrrolidin-2-yl)methyl 1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Name(5-oxopyrrolidin-2-yl)methyl 1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylate
PubChem CID86782692
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(5-oxopyrrolidin-2-yl)methyl 1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylate
SMILESCc1cc(C)cc(-n2nc(C(=O)OCC3CCC(=O)N3)cc2C)c1
InChIInChI=1S/C18H21N3O3/c1-11-6-12(2)8-15(7-11)21-13(3)9-16(20-21)18(23)24-10-14-4-5-17(22)19-14/h6-9,14H,4-5,10H2,1-3H3,(H,19,22)
InChIKeyWCLGXIUTTQOQLP-UHFFFAOYSA-N
XLogP2.23
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-oxopyrrolidin-2-yl)methyl 1-(3,5-dimethylphenyl)-5-methylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of (5-oxopyrrolidin-2-yl)methyl 1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylate?
The IUPAC name of (5-oxopyrrolidin-2-yl)methyl 1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylate (CID 86782692) is (5-oxopyrrolidin-2-yl)methyl 1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylate.
What is the SMILES notation for (5-oxopyrrolidin-2-yl)methyl 1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylate?
The canonical SMILES for (5-oxopyrrolidin-2-yl)methyl 1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylate is Cc1cc(C)cc(-n2nc(C(=O)OCC3CCC(=O)N3)cc2C)c1.
What is the InChIKey of (5-oxopyrrolidin-2-yl)methyl 1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylate?
The InChIKey is WCLGXIUTTQOQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11-6-12(2)8-15(7-11)21-13(3)9-16(20-21)18(23)24-10-14-4-5-17(22)19-14/h6-9,14H,4-5,10H2,1-3H3,(H,19,22).
What are the key properties of (5-oxopyrrolidin-2-yl)methyl 1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylate?
(5-oxopyrrolidin-2-yl)methyl 1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxopyrrolidin-2-yl)methyl 1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylate is sourced from PubChem (CID 86782692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).