5-(4-bromophenyl)-N-(5-chloro-2-methylphenyl)pyrazolidine-3-carboxamide

C17H17BrClN3O — CID 75606260

IUPAC5-(4-bromophenyl)-N-(5-chloro-2-methylphenyl)pyrazolidine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CC(c2ccc(Br)cc2)NN1
InChIInChI=1S/C17H17BrClN3O/c1-10-2-7-13(19)8-14(10)20-17(23)16-9-15(21-22-16)11-3-5-12(18)6-4-11/h2-8,15-16,21-22H,9H2,1H3,(H,20,23)
InChIKeySIESTDXAKSFNFU-UHFFFAOYSA-N
MW394.70 g/mol
LogP3.96
Rot. Bonds3

About 5-(4-bromophenyl)-N-(5-chloro-2-methylphenyl)pyrazolidine-3-carboxamide

5-(4-bromophenyl)-N-(5-chloro-2-methylphenyl)pyrazolidine-3-carboxamide (PubChem CID 75606260) has the molecular formula C17H17BrClN3O and a molecular weight of 394.70 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(5-chloro-2-methylphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(5-chloro-2-methylphenyl)pyrazolidine-3-carboxamide
PubChem CID75606260
Molecular FormulaC17H17BrClN3O
Molecular Weight394.70 g/mol
Exact Mass393.02
IUPAC Name5-(4-bromophenyl)-N-(5-chloro-2-methylphenyl)pyrazolidine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CC(c2ccc(Br)cc2)NN1
InChIInChI=1S/C17H17BrClN3O/c1-10-2-7-13(19)8-14(10)20-17(23)16-9-15(21-22-16)11-3-5-12(18)6-4-11/h2-8,15-16,21-22H,9H2,1H3,(H,20,23)
InChIKeySIESTDXAKSFNFU-UHFFFAOYSA-N
XLogP3.96
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.70
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chlorophenyl)-N-(5-fluoro-2-methylphenyl)pyrazolidine-3-carboxamide
CID 74623810
N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 122363085
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75085786
5-(3-chlorophenyl)-N-(3-fluoro-2-methylphenyl)pyrazolidine-3-carboxamide
CID 75254935
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75283567
N-(3,5-dimethylphenyl)-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605659
5-(3-chlorophenyl)-N-(3-methylphenyl)pyrazolidine-3-carboxamide
CID 74623711
5-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-3-carboxamide
CID 52978372
N-(5-chloro-2-methylphenyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 110650065
N-(5-chloro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119264186
5-(4-bromophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazolidine-3-carboxamide
CID 75206732
5-(4-bromophenyl)-N'-(2-chlorobenzoyl)pyrazolidine-3-carbohydrazide
CID 74646841

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(5-chloro-2-methylphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(5-chloro-2-methylphenyl)pyrazolidine-3-carboxamide (CID 75606260) is 5-(4-bromophenyl)-N-(5-chloro-2-methylphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(5-chloro-2-methylphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(5-chloro-2-methylphenyl)pyrazolidine-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1CC(c2ccc(Br)cc2)NN1.
What is the InChIKey of 5-(4-bromophenyl)-N-(5-chloro-2-methylphenyl)pyrazolidine-3-carboxamide?
The InChIKey is SIESTDXAKSFNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN3O/c1-10-2-7-13(19)8-14(10)20-17(23)16-9-15(21-22-16)11-3-5-12(18)6-4-11/h2-8,15-16,21-22H,9H2,1H3,(H,20,23).
What are the key properties of 5-(4-bromophenyl)-N-(5-chloro-2-methylphenyl)pyrazolidine-3-carboxamide?
5-(4-bromophenyl)-N-(5-chloro-2-methylphenyl)pyrazolidine-3-carboxamide has a molecular weight of 394.70 g/mol, XLogP of 3.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(5-chloro-2-methylphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75606260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).