N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide

C18H19N3O2 — CID 84865436

IUPACN-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CC(c3ccccc3)NN2)c1
InChIInChI=1S/C18H19N3O2/c1-12(22)14-8-5-9-15(10-14)19-18(23)17-11-16(20-21-17)13-6-3-2-4-7-13/h2-10,16-17,20-21H,11H2,1H3,(H,19,23)
InChIKeyINPCYPHIUUZFLC-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.44
Rot. Bonds4

About N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide

N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide (PubChem CID 84865436) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide
PubChem CID84865436
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CC(c3ccccc3)NN2)c1
InChIInChI=1S/C18H19N3O2/c1-12(22)14-8-5-9-15(10-14)19-18(23)17-11-16(20-21-17)13-6-3-2-4-7-13/h2-10,16-17,20-21H,11H2,1H3,(H,19,23)
InChIKeyINPCYPHIUUZFLC-UHFFFAOYSA-N
XLogP2.44
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234345
N-(3-fluorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74713535
N-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254869
N,5-bis(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254883
ethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 75234280
5-(3-chlorophenyl)-N-(3-methylphenyl)pyrazolidine-3-carboxamide
CID 74623711
N-[3-[[(5-phenylpyrazolidine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 74537412
dimethyl 5-[[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 75254878
N-ethyl-5-phenylpyrazolidine-3-carboxamide
CID 73487890
N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975429
N-(3,5-dimethylphenyl)-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605659
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide (CID 84865436) is N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide is CC(=O)c1cccc(NC(=O)C2CC(c3ccccc3)NN2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is INPCYPHIUUZFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12(22)14-8-5-9-15(10-14)19-18(23)17-11-16(20-21-17)13-6-3-2-4-7-13/h2-10,16-17,20-21H,11H2,1H3,(H,19,23).
What are the key properties of N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide?
N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 84865436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).