3-oxo-4,5-diphenyl-N-(4-propylphenyl)pyrazolidine-1-carboxamide

C25H25N3O2 — CID 15287750

IUPAC3-oxo-4,5-diphenyl-N-(4-propylphenyl)pyrazolidine-1-carboxamide
SMILESCCCc1ccc(NC(=O)N2NC(=O)C(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C25H25N3O2/c1-2-9-18-14-16-21(17-15-18)26-25(30)28-23(20-12-7-4-8-13-20)22(24(29)27-28)19-10-5-3-6-11-19/h3-8,10-17,22-23H,2,9H2,1H3,(H,26,30)(H,27,29)
InChIKeyCRLGDWMFJZXPCP-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.04
Rot. Bonds5

About 3-oxo-4,5-diphenyl-N-(4-propylphenyl)pyrazolidine-1-carboxamide

3-oxo-4,5-diphenyl-N-(4-propylphenyl)pyrazolidine-1-carboxamide (PubChem CID 15287750) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-oxo-4,5-diphenyl-N-(4-propylphenyl)pyrazolidine-1-carboxamide.

Molecular Properties

Compound Name3-oxo-4,5-diphenyl-N-(4-propylphenyl)pyrazolidine-1-carboxamide
PubChem CID15287750
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name3-oxo-4,5-diphenyl-N-(4-propylphenyl)pyrazolidine-1-carboxamide
SMILESCCCc1ccc(NC(=O)N2NC(=O)C(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C25H25N3O2/c1-2-9-18-14-16-21(17-15-18)26-25(30)28-23(20-12-7-4-8-13-20)22(24(29)27-28)19-10-5-3-6-11-19/h3-8,10-17,22-23H,2,9H2,1H3,(H,26,30)(H,27,29)
InChIKeyCRLGDWMFJZXPCP-UHFFFAOYSA-N
XLogP5.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxo-4,5-diphenyl-N-(4-phenylmethoxyphenyl)pyrazolidine-1-carboxamide
CID 15220953
tert-butyl 3-oxo-4,5-diphenylpyrazolidine-1-carboxylate
CID 23372153
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
N-phenyl-2-(4-propylanilino)acetamide
CID 43215416
1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
CID 24503682
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
(2S,3R)-N,2,3-triphenylaziridine-1-carboxamide
CID 131874554
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-propylphenyl)acetamide
CID 24565803
2-[2-[(4-bromophenyl)carbamoyl]-5-oxo-3,4-diphenylpyrazolidin-1-yl]acetic acid
CID 19038239
3-methyl-2-[(4-propylphenyl)carbamoyl]butanoic acid
CID 115186130
1-[(4-propylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096237
2-[2-(aminomethyl)phenyl]-N-(4-propylphenyl)acetamide
CID 81311722

Frequently Asked Questions

What is the IUPAC name of 3-oxo-4,5-diphenyl-N-(4-propylphenyl)pyrazolidine-1-carboxamide?
The IUPAC name of 3-oxo-4,5-diphenyl-N-(4-propylphenyl)pyrazolidine-1-carboxamide (CID 15287750) is 3-oxo-4,5-diphenyl-N-(4-propylphenyl)pyrazolidine-1-carboxamide.
What is the SMILES notation for 3-oxo-4,5-diphenyl-N-(4-propylphenyl)pyrazolidine-1-carboxamide?
The canonical SMILES for 3-oxo-4,5-diphenyl-N-(4-propylphenyl)pyrazolidine-1-carboxamide is CCCc1ccc(NC(=O)N2NC(=O)C(c3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of 3-oxo-4,5-diphenyl-N-(4-propylphenyl)pyrazolidine-1-carboxamide?
The InChIKey is CRLGDWMFJZXPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-2-9-18-14-16-21(17-15-18)26-25(30)28-23(20-12-7-4-8-13-20)22(24(29)27-28)19-10-5-3-6-11-19/h3-8,10-17,22-23H,2,9H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 3-oxo-4,5-diphenyl-N-(4-propylphenyl)pyrazolidine-1-carboxamide?
3-oxo-4,5-diphenyl-N-(4-propylphenyl)pyrazolidine-1-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4,5-diphenyl-N-(4-propylphenyl)pyrazolidine-1-carboxamide is sourced from PubChem (CID 15287750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).