N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide

C19H21N3O3 — CID 75234345

IUPACN-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)Nc3cccc(C(C)=O)c3)NN2)cc1
InChIInChI=1S/C19H21N3O3/c1-12(23)14-4-3-5-15(10-14)20-19(24)18-11-17(21-22-18)13-6-8-16(25-2)9-7-13/h3-10,17-18,21-22H,11H2,1-2H3,(H,20,24)
InChIKeySASYCLDNHROZKA-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.44
Rot. Bonds5

About N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide

N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide (PubChem CID 75234345) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
PubChem CID75234345
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)Nc3cccc(C(C)=O)c3)NN2)cc1
InChIInChI=1S/C19H21N3O3/c1-12(23)14-4-3-5-15(10-14)20-19(24)18-11-17(21-22-18)13-6-8-16(25-2)9-7-13/h3-10,17-18,21-22H,11H2,1-2H3,(H,20,24)
InChIKeySASYCLDNHROZKA-UHFFFAOYSA-N
XLogP2.44
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 84865436
N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975398
ethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 75234280
N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74523011
N-(3,5-dimethoxyphenyl)-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605721
5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75234301
N-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254869
1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide
CID 109139542
N-(3-fluorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74713535
N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975396
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
CID 75085710
dimethyl 5-[[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 75254878

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide (CID 75234345) is N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide is COc1ccc(C2CC(C(=O)Nc3cccc(C(C)=O)c3)NN2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide?
The InChIKey is SASYCLDNHROZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(23)14-4-3-5-15(10-14)20-19(24)18-11-17(21-22-18)13-6-8-16(25-2)9-7-13/h3-10,17-18,21-22H,11H2,1-2H3,(H,20,24).
What are the key properties of N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide?
N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75234345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).