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

C29H25N3O3 — CID 15220953

IUPAC3-oxo-4,5-diphenyl-N-(4-phenylmethoxyphenyl)pyrazolidine-1-carboxamide
SMILESO=C1NN(C(=O)Nc2ccc(OCc3ccccc3)cc2)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C29H25N3O3/c33-28-26(22-12-6-2-7-13-22)27(23-14-8-3-9-15-23)32(31-28)29(34)30-24-16-18-25(19-17-24)35-20-21-10-4-1-5-11-21/h1-19,26-27H,20H2,(H,30,34)(H,31,33)
InChIKeyRWQGFWZSVAVDIP-UHFFFAOYSA-N
MW463.54 g/mol
LogP5.67
Rot. Bonds6

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

3-oxo-4,5-diphenyl-N-(4-phenylmethoxyphenyl)pyrazolidine-1-carboxamide (PubChem CID 15220953) has the molecular formula C29H25N3O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 3-oxo-4,5-diphenyl-N-(4-phenylmethoxyphenyl)pyrazolidine-1-carboxamide.

Molecular Properties

Compound Name3-oxo-4,5-diphenyl-N-(4-phenylmethoxyphenyl)pyrazolidine-1-carboxamide
PubChem CID15220953
Molecular FormulaC29H25N3O3
Molecular Weight463.54 g/mol
Exact Mass463.19
IUPAC Name3-oxo-4,5-diphenyl-N-(4-phenylmethoxyphenyl)pyrazolidine-1-carboxamide
SMILESO=C1NN(C(=O)Nc2ccc(OCc3ccccc3)cc2)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C29H25N3O3/c33-28-26(22-12-6-2-7-13-22)27(23-14-8-3-9-15-23)32(31-28)29(34)30-24-16-18-25(19-17-24)35-20-21-10-4-1-5-11-21/h1-19,26-27H,20H2,(H,30,34)(H,31,33)
InChIKeyRWQGFWZSVAVDIP-UHFFFAOYSA-N
XLogP5.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 108988713
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 2318616
1,3-dioxo-2-(2-phenylcyclopropyl)-N-(4-phenylmethoxyphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 126686450
molecular hydrogen;N-(4-phenylmethoxyphenyl)morpholine-4-carboxamide
CID 143052664
2-methyl-N-(4-phenylmethoxyphenyl)piperidine-1-carboxamide
CID 3853600
2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide
CID 884766
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea
CID 112969756
2-(cyclopropylmethylamino)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119669315
2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 4638854
5-oxo-N-(4-phenylmethoxyphenyl)-1,2-dihydropyrazole-3-carboxamide
CID 110692063
2-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 98367090

Frequently Asked Questions

What is the IUPAC name of 3-oxo-4,5-diphenyl-N-(4-phenylmethoxyphenyl)pyrazolidine-1-carboxamide?
The IUPAC name of 3-oxo-4,5-diphenyl-N-(4-phenylmethoxyphenyl)pyrazolidine-1-carboxamide (CID 15220953) is 3-oxo-4,5-diphenyl-N-(4-phenylmethoxyphenyl)pyrazolidine-1-carboxamide.
What is the SMILES notation for 3-oxo-4,5-diphenyl-N-(4-phenylmethoxyphenyl)pyrazolidine-1-carboxamide?
The canonical SMILES for 3-oxo-4,5-diphenyl-N-(4-phenylmethoxyphenyl)pyrazolidine-1-carboxamide is O=C1NN(C(=O)Nc2ccc(OCc3ccccc3)cc2)C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 3-oxo-4,5-diphenyl-N-(4-phenylmethoxyphenyl)pyrazolidine-1-carboxamide?
The InChIKey is RWQGFWZSVAVDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O3/c33-28-26(22-12-6-2-7-13-22)27(23-14-8-3-9-15-23)32(31-28)29(34)30-24-16-18-25(19-17-24)35-20-21-10-4-1-5-11-21/h1-19,26-27H,20H2,(H,30,34)(H,31,33).
What are the key properties of 3-oxo-4,5-diphenyl-N-(4-phenylmethoxyphenyl)pyrazolidine-1-carboxamide?
3-oxo-4,5-diphenyl-N-(4-phenylmethoxyphenyl)pyrazolidine-1-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4,5-diphenyl-N-(4-phenylmethoxyphenyl)pyrazolidine-1-carboxamide is sourced from PubChem (CID 15220953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).