5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide

C17H16Cl3N3O — CID 75255150

IUPAC5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)C1CC(c2ccc(Cl)cc2)NN1
InChIInChI=1S/C17H16Cl3N3O/c18-12-4-2-11(3-5-12)15-8-16(23-22-15)17(24)21-9-10-1-6-13(19)14(20)7-10/h1-7,15-16,22-23H,8-9H2,(H,21,24)
InChIKeyGHUDLOBBVVMAEH-UHFFFAOYSA-N
MW384.69 g/mol
LogP3.87
Rot. Bonds4

About 5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide

5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide (PubChem CID 75255150) has the molecular formula C17H16Cl3N3O and a molecular weight of 384.69 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide
PubChem CID75255150
Molecular FormulaC17H16Cl3N3O
Molecular Weight384.69 g/mol
Exact Mass383.04
IUPAC Name5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)C1CC(c2ccc(Cl)cc2)NN1
InChIInChI=1S/C17H16Cl3N3O/c18-12-4-2-11(3-5-12)15-8-16(23-22-15)17(24)21-9-10-1-6-13(19)14(20)7-10/h1-7,15-16,22-23H,8-9H2,(H,21,24)
InChIKeyGHUDLOBBVVMAEH-UHFFFAOYSA-N
XLogP3.87
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.69
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605889
5-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75085820
N-[(4-chlorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605919
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234457
5-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75255220
5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75283635
N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 122363085
5-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolidine-3-carboxamide
CID 75085839
5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75194339
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
CID 134125918
N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75234443
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
CID 75085710

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide (CID 75255150) is 5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide is O=C(NCc1ccc(Cl)c(Cl)c1)C1CC(c2ccc(Cl)cc2)NN1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide?
The InChIKey is GHUDLOBBVVMAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N3O/c18-12-4-2-11(3-5-12)15-8-16(23-22-15)17(24)21-9-10-1-6-13(19)14(20)7-10/h1-7,15-16,22-23H,8-9H2,(H,21,24).
What are the key properties of 5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide?
5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide has a molecular weight of 384.69 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 75255150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).