4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide

C27H35N5O2 — CID 55931424

IUPAC4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide
SMILESO=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C27H35N5O2/c33-26(13-14-27(34)32-18-15-25(29-32)23-9-3-1-4-10-23)28-16-7-8-17-30-19-21-31(22-20-30)24-11-5-2-6-12-24/h1-6,9-12H,7-8,13-22H2,(H,28,33)
InChIKeyAKKNPORUIKECML-UHFFFAOYSA-N
MW461.61 g/mol
LogP3.12
Rot. Bonds10

About 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide

4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide (PubChem CID 55931424) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide
PubChem CID55931424
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC Name4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide
SMILESO=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C27H35N5O2/c33-26(13-14-27(34)32-18-15-25(29-32)23-9-3-1-4-10-23)28-16-7-8-17-30-19-21-31(22-20-30)24-11-5-2-6-12-24/h1-6,9-12H,7-8,13-22H2,(H,28,33)
InChIKeyAKKNPORUIKECML-UHFFFAOYSA-N
XLogP3.12
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-morpholin-4-ylpropyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55347239
N-(3-imidazol-1-ylpropyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 51162149
1-(5-phenyl-3,4-dihydropyrazol-2-yl)-4-(4-pyridin-4-ylpiperazin-1-yl)butane-1,4-dione
CID 31421196
N-[2-(diethylamino)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55346332
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
N-[(3-chlorophenyl)methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 17445323
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
N-[2-(4-tert-butylphenoxy)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55376217
3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide
CID 52691963
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55662815
N-(4-anilinophenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18292961
N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18106168

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide?
The IUPAC name of 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide (CID 55931424) is 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide.
What is the SMILES notation for 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide?
The canonical SMILES for 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide is O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide?
The InChIKey is AKKNPORUIKECML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2/c33-26(13-14-27(34)32-18-15-25(29-32)23-9-3-1-4-10-23)28-16-7-8-17-30-19-21-31(22-20-30)24-11-5-2-6-12-24/h1-6,9-12H,7-8,13-22H2,(H,28,33).
What are the key properties of 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide?
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide has a molecular weight of 461.61 g/mol, XLogP of 3.12, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide is sourced from PubChem (CID 55931424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).