N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide

C16H15BrClN3O — CID 75254786

IUPACN-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)C1CC(c2ccccc2Cl)NN1
InChIInChI=1S/C16H15BrClN3O/c17-11-6-2-4-8-13(11)19-16(22)15-9-14(20-21-15)10-5-1-3-7-12(10)18/h1-8,14-15,20-21H,9H2,(H,19,22)
InChIKeyJXKOOOZIULXXHT-UHFFFAOYSA-N
MW380.67 g/mol
LogP3.65
Rot. Bonds3

About N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide

N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide (PubChem CID 75254786) has the molecular formula C16H15BrClN3O and a molecular weight of 380.67 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide
PubChem CID75254786
Molecular FormulaC16H15BrClN3O
Molecular Weight380.67 g/mol
Exact Mass379.01
IUPAC NameN-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)C1CC(c2ccccc2Cl)NN1
InChIInChI=1S/C16H15BrClN3O/c17-11-6-2-4-8-13(11)19-16(22)15-9-14(20-21-15)10-5-1-3-7-12(10)18/h1-8,14-15,20-21H,9H2,(H,19,22)
InChIKeyJXKOOOZIULXXHT-UHFFFAOYSA-N
XLogP3.65
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.67
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254792
5-(2-chlorophenyl)-N-methylpyrazolidine-3-carboxamide
CID 75973488
5-(2-chlorophenyl)-N-(2,4-dimethylphenyl)pyrazolidine-3-carboxamide
CID 75254752
5-(2-chlorophenyl)-N-(4-iodophenyl)pyrazolidine-3-carboxamide
CID 75254788
5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide
CID 75254818
5-(2-chlorophenyl)-N-propan-2-ylpyrazolidine-3-carboxamide
CID 75138330
5-(2-chlorophenyl)-N-(3,4-difluorophenyl)pyrazolidine-3-carboxamide
CID 75254781
methyl 4-[[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 74623743
[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 N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide (CID 75254786) is N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide is O=C(Nc1ccccc1Br)C1CC(c2ccccc2Cl)NN1.
What is the InChIKey of N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide?
The InChIKey is JXKOOOZIULXXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3O/c17-11-6-2-4-8-13(11)19-16(22)15-9-14(20-21-15)10-5-1-3-7-12(10)18/h1-8,14-15,20-21H,9H2,(H,19,22).
What are the key properties of N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide?
N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide has a molecular weight of 380.67 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75254786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).