5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide

C16H15ClIN3O — CID 75254788

IUPAC5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide
SMILESO=C(Nc1ccc(I)cc1)C1CC(c2ccccc2Cl)NN1
InChIInChI=1S/C16H15ClIN3O/c17-13-4-2-1-3-12(13)14-9-15(21-20-14)16(22)19-11-7-5-10(18)6-8-11/h1-8,14-15,20-21H,9H2,(H,19,22)
InChIKeyVYOVBOMZBVRDEZ-UHFFFAOYSA-N
MW427.67 g/mol
LogP3.49
Rot. Bonds3

About 5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide

5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide (PubChem CID 75254788) has the molecular formula C16H15ClIN3O and a molecular weight of 427.67 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide
PubChem CID75254788
Molecular FormulaC16H15ClIN3O
Molecular Weight427.67 g/mol
Exact Mass426.99
IUPAC Name5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide
SMILESO=C(Nc1ccc(I)cc1)C1CC(c2ccccc2Cl)NN1
InChIInChI=1S/C16H15ClIN3O/c17-13-4-2-1-3-12(13)14-9-15(21-20-14)16(22)19-11-7-5-10(18)6-8-11/h1-8,14-15,20-21H,9H2,(H,19,22)
InChIKeyVYOVBOMZBVRDEZ-UHFFFAOYSA-N
XLogP3.49
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.67
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 74623743
5-(2-chlorophenyl)-N-(3,4-difluorophenyl)pyrazolidine-3-carboxamide
CID 75254781
5-(2-chlorophenyl)-N-methylpyrazolidine-3-carboxamide
CID 75973488
N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254786
5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide
CID 75138330
5-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254792
5-(2-chlorophenyl)-N-(2,4-dimethylphenyl)pyrazolidine-3-carboxamide
CID 75254752
5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide
CID 75254818
[5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone
CID 74623681
5-(2-chlorophenyl)-N-(3-methoxypropyl)pyrazolidine-3-carboxamide
CID 52978511
5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
CID 52978508
5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75194339

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide (CID 75254788) is 5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide is O=C(Nc1ccc(I)cc1)C1CC(c2ccccc2Cl)NN1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide?
The InChIKey is VYOVBOMZBVRDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClIN3O/c17-13-4-2-1-3-12(13)14-9-15(21-20-14)16(22)19-11-7-5-10(18)6-8-11/h1-8,14-15,20-21H,9H2,(H,19,22).
What are the key properties of 5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide?
5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide has a molecular weight of 427.67 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75254788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).