N-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide

C18H20N4O2 — CID 74648336

IUPACN-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CNNC2c2ccccc2)c1
InChIInChI=1S/C18H20N4O2/c1-12(23)20-14-8-5-9-15(10-14)21-18(24)16-11-19-22-17(16)13-6-3-2-4-7-13/h2-10,16-17,19,22H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyVEXUIDZDSWBCGV-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.05
Rot. Bonds4

About N-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide

N-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide (PubChem CID 74648336) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide
PubChem CID74648336
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CNNC2c2ccccc2)c1
InChIInChI=1S/C18H20N4O2/c1-12(23)20-14-8-5-9-15(10-14)21-18(24)16-11-19-22-17(16)13-6-3-2-4-7-13/h2-10,16-17,19,22H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyVEXUIDZDSWBCGV-UHFFFAOYSA-N
XLogP2.05
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide
CID 74653127
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide
CID 74621923
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide
CID 52975465
trans-(1S,2S)-2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 792081
3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide
CID 73277699
N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide
CID 75656770
N-[(3-methylthiophen-2-yl)methyl]-3-phenylpyrazolidine-4-carboxamide
CID 134059626
N-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 52989302
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
(3R,4S)-N-(3-acetamidophenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917163
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide (CID 74648336) is N-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide is CC(=O)Nc1cccc(NC(=O)C2CNNC2c2ccccc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide?
The InChIKey is VEXUIDZDSWBCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12(23)20-14-8-5-9-15(10-14)21-18(24)16-11-19-22-17(16)13-6-3-2-4-7-13/h2-10,16-17,19,22H,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide?
N-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide is sourced from PubChem (CID 74648336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).