N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide

C16H15Cl2N3O — CID 122363085

IUPACN-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)C1CC(c2ccccc2)NN1
InChIInChI=1S/C16H15Cl2N3O/c17-11-6-7-12(18)14(8-11)19-16(22)15-9-13(20-21-15)10-4-2-1-3-5-10/h1-8,13,15,20-21H,9H2,(H,19,22)
InChIKeyMFIHLTFFPXZHFS-UHFFFAOYSA-N
MW336.22 g/mol
LogP3.54
Rot. Bonds3

About N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide

N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide (PubChem CID 122363085) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide
PubChem CID122363085
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC NameN-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)C1CC(c2ccccc2)NN1
InChIInChI=1S/C16H15Cl2N3O/c17-11-6-7-12(18)14(8-11)19-16(22)15-9-13(20-21-15)10-4-2-1-3-5-10/h1-8,13,15,20-21H,9H2,(H,19,22)
InChIKeyMFIHLTFFPXZHFS-UHFFFAOYSA-N
XLogP3.54
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromophenyl)-N-(5-chloro-2-methylphenyl)pyrazolidine-3-carboxamide
CID 75606260
N-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254865
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
N,5-bis(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254883
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75085786
N-(5,6-difluoro-1H-indol-3-yl)-5-phenylpyrazolidine-3-carboxamide
CID 168678351
N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74523011
5-(3-chlorophenyl)-N-(5-fluoro-2-methylphenyl)pyrazolidine-3-carboxamide
CID 74623810
N-(3-fluorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74713535
N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 84865436
2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270465

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide (CID 122363085) is N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)C1CC(c2ccccc2)NN1.
What is the InChIKey of N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is MFIHLTFFPXZHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c17-11-6-7-12(18)14(8-11)19-16(22)15-9-13(20-21-15)10-4-2-1-3-5-10/h1-8,13,15,20-21H,9H2,(H,19,22).
What are the key properties of N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide?
N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 336.22 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 122363085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).