5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide

C21H23ClN4O2 — CID 52989249

IUPAC5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)C1CC(c2cccc(Cl)c2)NN1
InChIInChI=1S/C21H23ClN4O2/c22-16-5-3-4-15(12-16)18-13-19(25-24-18)20(27)23-17-8-6-14(7-9-17)21(28)26-10-1-2-11-26/h3-9,12,18-19,24-25H,1-2,10-11,13H2,(H,23,27)
InChIKeyQPWSTZYLOWPVCP-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.12
Rot. Bonds4

About 5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide

5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide (PubChem CID 52989249) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide
PubChem CID52989249
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)C1CC(c2cccc(Cl)c2)NN1
InChIInChI=1S/C21H23ClN4O2/c22-16-5-3-4-15(12-16)18-13-19(25-24-18)20(27)23-17-8-6-14(7-9-17)21(28)26-10-1-2-11-26/h3-9,12,18-19,24-25H,1-2,10-11,13H2,(H,23,27)
InChIKeyQPWSTZYLOWPVCP-UHFFFAOYSA-N
XLogP3.12
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-bis(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254883
N-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254869
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
3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17172890
3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2970403
N-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254865
[5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 75138331
5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254921
5-(3-chlorophenyl)-N-(3-fluoro-2-methylphenyl)pyrazolidine-3-carboxamide
CID 75254935
5-(3-chlorophenyl)-N-(5-fluoro-2-methylphenyl)pyrazolidine-3-carboxamide
CID 74623810

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide (CID 52989249) is 5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide is O=C(Nc1ccc(C(=O)N2CCCC2)cc1)C1CC(c2cccc(Cl)c2)NN1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide?
The InChIKey is QPWSTZYLOWPVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c22-16-5-3-4-15(12-16)18-13-19(25-24-18)20(27)23-17-8-6-14(7-9-17)21(28)26-10-1-2-11-26/h3-9,12,18-19,24-25H,1-2,10-11,13H2,(H,23,27).
What are the key properties of 5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide?
5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide has a molecular weight of 398.89 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 52989249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).