N-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide

C23H20ClN3O2 — CID 75254865

IUPACN-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide
SMILESO=C(c1ccccc1)c1ccccc1NC(=O)C1CC(c2cccc(Cl)c2)NN1
InChIInChI=1S/C23H20ClN3O2/c24-17-10-6-9-16(13-17)20-14-21(27-26-20)23(29)25-19-12-5-4-11-18(19)22(28)15-7-2-1-3-8-15/h1-13,20-21,26-27H,14H2,(H,25,29)
InChIKeyFHZXPIPVWACEIA-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.12
Rot. Bonds5

About N-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide

N-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide (PubChem CID 75254865) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide
PubChem CID75254865
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC NameN-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide
SMILESO=C(c1ccccc1)c1ccccc1NC(=O)C1CC(c2cccc(Cl)c2)NN1
InChIInChI=1S/C23H20ClN3O2/c24-17-10-6-9-16(13-17)20-14-21(27-26-20)23(29)25-19-12-5-4-11-18(19)22(28)15-7-2-1-3-8-15/h1-13,20-21,26-27H,14H2,(H,25,29)
InChIKeyFHZXPIPVWACEIA-UHFFFAOYSA-N
XLogP4.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-bis(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254883
5-(3-chlorophenyl)-N-(3-fluoro-2-methylphenyl)pyrazolidine-3-carboxamide
CID 75254935
N-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254869
N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 122363085
5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254921
5-(3-chlorophenyl)-N-(5-fluoro-2-methylphenyl)pyrazolidine-3-carboxamide
CID 74623810
5-(3-chlorophenyl)-N-(3-methylphenyl)pyrazolidine-3-carboxamide
CID 74623711
dimethyl 5-[[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 75254878
5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254901
5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide
CID 52989249
N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 84865436
2-chloro-N-[1-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]benzamide
CID 75270685

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide (CID 75254865) is N-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide is O=C(c1ccccc1)c1ccccc1NC(=O)C1CC(c2cccc(Cl)c2)NN1.
What is the InChIKey of N-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide?
The InChIKey is FHZXPIPVWACEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c24-17-10-6-9-16(13-17)20-14-21(27-26-20)23(29)25-19-12-5-4-11-18(19)22(28)15-7-2-1-3-8-15/h1-13,20-21,26-27H,14H2,(H,25,29).
What are the key properties of N-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide?
N-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75254865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).