5-(4-bromophenyl)-N-(4-phenoxyphenyl)pyrazolidine-3-carboxamide

C22H20BrN3O2 — CID 75085719

IUPAC5-(4-bromophenyl)-N-(4-phenoxyphenyl)pyrazolidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CC(c2ccc(Br)cc2)NN1
InChIInChI=1S/C22H20BrN3O2/c23-16-8-6-15(7-9-16)20-14-21(26-25-20)22(27)24-17-10-12-19(13-11-17)28-18-4-2-1-3-5-18/h1-13,20-21,25-26H,14H2,(H,24,27)
InChIKeyOYWOXJNCVWUVOD-UHFFFAOYSA-N
MW438.33 g/mol
LogP4.79
Rot. Bonds5

About 5-(4-bromophenyl)-N-(4-phenoxyphenyl)pyrazolidine-3-carboxamide

5-(4-bromophenyl)-N-(4-phenoxyphenyl)pyrazolidine-3-carboxamide (PubChem CID 75085719) has the molecular formula C22H20BrN3O2 and a molecular weight of 438.33 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(4-phenoxyphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(4-phenoxyphenyl)pyrazolidine-3-carboxamide
PubChem CID75085719
Molecular FormulaC22H20BrN3O2
Molecular Weight438.33 g/mol
Exact Mass437.07
IUPAC Name5-(4-bromophenyl)-N-(4-phenoxyphenyl)pyrazolidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CC(c2ccc(Br)cc2)NN1
InChIInChI=1S/C22H20BrN3O2/c23-16-8-6-15(7-9-16)20-14-21(26-25-20)22(27)24-17-10-12-19(13-11-17)28-18-4-2-1-3-5-18/h1-13,20-21,25-26H,14H2,(H,24,27)
InChIKeyOYWOXJNCVWUVOD-UHFFFAOYSA-N
XLogP4.79
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.33
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-3-carboxamide
CID 52978372
N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975398
methyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 74486868
5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75975436
N-(3,5-dimethylphenyl)-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605659
N-(3-fluorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74713535
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
N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234345
N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75234443
N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 84865436
N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74523011

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(4-phenoxyphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(4-phenoxyphenyl)pyrazolidine-3-carboxamide (CID 75085719) is 5-(4-bromophenyl)-N-(4-phenoxyphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(4-phenoxyphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(4-phenoxyphenyl)pyrazolidine-3-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)C1CC(c2ccc(Br)cc2)NN1.
What is the InChIKey of 5-(4-bromophenyl)-N-(4-phenoxyphenyl)pyrazolidine-3-carboxamide?
The InChIKey is OYWOXJNCVWUVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O2/c23-16-8-6-15(7-9-16)20-14-21(26-25-20)22(27)24-17-10-12-19(13-11-17)28-18-4-2-1-3-5-18/h1-13,20-21,25-26H,14H2,(H,24,27).
What are the key properties of 5-(4-bromophenyl)-N-(4-phenoxyphenyl)pyrazolidine-3-carboxamide?
5-(4-bromophenyl)-N-(4-phenoxyphenyl)pyrazolidine-3-carboxamide has a molecular weight of 438.33 g/mol, XLogP of 4.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(4-phenoxyphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75085719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).