5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide

C17H16BrF2N3O — CID 75283635

IUPAC5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)C1CC(c2ccc(Br)cc2)NN1
InChIInChI=1S/C17H16BrF2N3O/c18-12-3-1-11(2-4-12)15-8-16(23-22-15)17(24)21-9-10-5-13(19)7-14(20)6-10/h1-7,15-16,22-23H,8-9H2,(H,21,24)
InChIKeyOQJGJFIYXPLLLS-UHFFFAOYSA-N
MW396.24 g/mol
LogP2.95
Rot. Bonds4

About 5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide

5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide (PubChem CID 75283635) has the molecular formula C17H16BrF2N3O and a molecular weight of 396.24 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide
PubChem CID75283635
Molecular FormulaC17H16BrF2N3O
Molecular Weight396.24 g/mol
Exact Mass395.04
IUPAC Name5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)C1CC(c2ccc(Br)cc2)NN1
InChIInChI=1S/C17H16BrF2N3O/c18-12-3-1-11(2-4-12)15-8-16(23-22-15)17(24)21-9-10-5-13(19)7-14(20)6-10/h1-7,15-16,22-23H,8-9H2,(H,21,24)
InChIKeyOQJGJFIYXPLLLS-UHFFFAOYSA-N
XLogP2.95
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75194339
N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75234443
5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75255150
N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605889
5-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75085820
N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75194169
N-[(3-bromo-5-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 56818163
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234457
5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
CID 75666383
5-(4-bromophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrazolidine-3-carboxamide
CID 52987338
N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110471718
N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75283653

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide (CID 75283635) is 5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide is O=C(NCc1cc(F)cc(F)c1)C1CC(c2ccc(Br)cc2)NN1.
What is the InChIKey of 5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide?
The InChIKey is OQJGJFIYXPLLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2N3O/c18-12-3-1-11(2-4-12)15-8-16(23-22-15)17(24)21-9-10-5-13(19)7-14(20)6-10/h1-7,15-16,22-23H,8-9H2,(H,21,24).
What are the key properties of 5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide?
5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide has a molecular weight of 396.24 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 75283635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).