methyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate

C18H18ClN3O3 — CID 74623743

IUPACmethyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC(c3ccccc3Cl)NN2)cc1
InChIInChI=1S/C18H18ClN3O3/c1-25-18(24)11-6-8-12(9-7-11)20-17(23)16-10-15(21-22-16)13-4-2-3-5-14(13)19/h2-9,15-16,21-22H,10H2,1H3,(H,20,23)
InChIKeyQSKSFAFVRHPCFX-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.67
Rot. Bonds4

About methyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate

methyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate (PubChem CID 74623743) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is methyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
PubChem CID74623743
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Namemethyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC(c3ccccc3Cl)NN2)cc1
InChIInChI=1S/C18H18ClN3O3/c1-25-18(24)11-6-8-12(9-7-11)20-17(23)16-10-15(21-22-16)13-4-2-3-5-14(13)19/h2-9,15-16,21-22H,10H2,1H3,(H,20,23)
InChIKeyQSKSFAFVRHPCFX-UHFFFAOYSA-N
XLogP2.67
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chlorophenyl)-N-(3,4-difluorophenyl)pyrazolidine-3-carboxamide
CID 75254781
methyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 74486868
5-(2-chlorophenyl)-N-methylpyrazolidine-3-carboxamide
CID 75973488
5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide
CID 75138330
N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254786
5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
CID 52978508
5-(2-chlorophenyl)-N-(2,4-dimethylphenyl)pyrazolidine-3-carboxamide
CID 75254752
5-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254792
dimethyl 5-[[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 75254878
5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide
CID 75254818
[5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone
CID 74623681
methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
CID 110861747

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate (CID 74623743) is methyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C2CC(c3ccccc3Cl)NN2)cc1.
What is the InChIKey of methyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate?
The InChIKey is QSKSFAFVRHPCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-25-18(24)11-6-8-12(9-7-11)20-17(23)16-10-15(21-22-16)13-4-2-3-5-14(13)19/h2-9,15-16,21-22H,10H2,1H3,(H,20,23).
What are the key properties of methyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate?
methyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate has a molecular weight of 359.81 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 74623743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).