methyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate

C19H21N3O3 — CID 74486868

IUPACmethyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC(c3ccc(C)cc3)NN2)cc1
InChIInChI=1S/C19H21N3O3/c1-12-3-5-13(6-4-12)16-11-17(22-21-16)18(23)20-15-9-7-14(8-10-15)19(24)25-2/h3-10,16-17,21-22H,11H2,1-2H3,(H,20,23)
InChIKeyNUWAJUAAZGTLAT-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.33
Rot. Bonds4

About methyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate

methyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate (PubChem CID 74486868) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is methyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate
PubChem CID74486868
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Namemethyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC(c3ccc(C)cc3)NN2)cc1
InChIInChI=1S/C19H21N3O3/c1-12-3-5-13(6-4-12)16-11-17(22-21-16)18(23)20-15-9-7-14(8-10-15)19(24)25-2/h3-10,16-17,21-22H,11H2,1-2H3,(H,20,23)
InChIKeyNUWAJUAAZGTLAT-UHFFFAOYSA-N
XLogP2.33
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate 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 4-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 75085762
N-(3,5-dimethylphenyl)-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605659
5-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolidine-3-carboxamide
CID 74459525
methyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 74623743
methyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate
CID 71651121
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498
N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605691
N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975398
1-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]-3-phenylthiourea
CID 78364812
dimethyl 5-[[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 75254878
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75283567
5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75975436

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate (CID 74486868) is methyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C2CC(c3ccc(C)cc3)NN2)cc1.
What is the InChIKey of methyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate?
The InChIKey is NUWAJUAAZGTLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-3-5-13(6-4-12)16-11-17(22-21-16)18(23)20-15-9-7-14(8-10-15)19(24)25-2/h3-10,16-17,21-22H,11H2,1-2H3,(H,20,23).
What are the key properties of methyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate?
methyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate has a molecular weight of 339.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 74486868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).