methyl 3-(4-benzoylphenyl)pyrazolidine-4-carboxylate

C18H18N2O3 — CID 133269243

IUPACmethyl 3-(4-benzoylphenyl)pyrazolidine-4-carboxylate
SMILESCOC(=O)C1CNNC1c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3/c1-23-18(22)15-11-19-20-16(15)12-7-9-14(10-8-12)17(21)13-5-3-2-4-6-13/h2-10,15-16,19-20H,11H2,1H3
InChIKeyFAZCMOAVXHXSMZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.86
Rot. Bonds4

About methyl 3-(4-benzoylphenyl)pyrazolidine-4-carboxylate

methyl 3-(4-benzoylphenyl)pyrazolidine-4-carboxylate (PubChem CID 133269243) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 3-(4-benzoylphenyl)pyrazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-benzoylphenyl)pyrazolidine-4-carboxylate
PubChem CID133269243
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namemethyl 3-(4-benzoylphenyl)pyrazolidine-4-carboxylate
SMILESCOC(=O)C1CNNC1c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H18N2O3/c1-23-18(22)15-11-19-20-16(15)12-7-9-14(10-8-12)17(21)13-5-3-2-4-6-13/h2-10,15-16,19-20H,11H2,1H3
InChIKeyFAZCMOAVXHXSMZ-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-(4-benzoylphenyl)pyrazolidine-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

3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide
CID 74760091
3-phenyl-N'-(4-propan-2-yloxybenzoyl)pyrazolidine-4-carbohydrazide
CID 52973596
methyl 4-phenylpyrazolidine-3-carboxylate
CID 73198673
methyl 2-phenylpyrrolidine-3-carboxylate
CID 12955149
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
N-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide
CID 74648336
(2R,4R,5S)-4-methoxycarbonyl-5-phenylpyrrolidine-2-carboxylic acid
CID 54511745
dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 101203348
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
methyl (1R,6S)-6-benzoylcyclohex-3-ene-1-carboxylate
CID 102464913
N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide
CID 52975623
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide
CID 74653127

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-benzoylphenyl)pyrazolidine-4-carboxylate?
The IUPAC name of methyl 3-(4-benzoylphenyl)pyrazolidine-4-carboxylate (CID 133269243) is methyl 3-(4-benzoylphenyl)pyrazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-(4-benzoylphenyl)pyrazolidine-4-carboxylate?
The canonical SMILES for methyl 3-(4-benzoylphenyl)pyrazolidine-4-carboxylate is COC(=O)C1CNNC1c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of methyl 3-(4-benzoylphenyl)pyrazolidine-4-carboxylate?
The InChIKey is FAZCMOAVXHXSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-23-18(22)15-11-19-20-16(15)12-7-9-14(10-8-12)17(21)13-5-3-2-4-6-13/h2-10,15-16,19-20H,11H2,1H3.
What are the key properties of methyl 3-(4-benzoylphenyl)pyrazolidine-4-carboxylate?
methyl 3-(4-benzoylphenyl)pyrazolidine-4-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-benzoylphenyl)pyrazolidine-4-carboxylate is sourced from PubChem (CID 133269243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).