N-cyclopropyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide

C23H24N4O3 — CID 30656166

IUPACN-cyclopropyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide
SMILESO=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C23H24N4O3/c28-21(25-20-9-5-4-8-18(20)23(30)24-17-10-11-17)12-13-22(29)27-15-14-19(26-27)16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,24,30)(H,25,28)
InChIKeyWXNSIUWFRUAYQN-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.93
Rot. Bonds7

About N-cyclopropyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide

N-cyclopropyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide (PubChem CID 30656166) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide
PubChem CID30656166
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-cyclopropyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide
SMILESO=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C23H24N4O3/c28-21(25-20-9-5-4-8-18(20)23(30)24-17-10-11-17)12-13-22(29)27-15-14-19(26-27)16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,24,30)(H,25,28)
InChIKeyWXNSIUWFRUAYQN-UHFFFAOYSA-N
XLogP2.93
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide with MolForge

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Related Compounds

N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18106168
N-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 25481606
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide
CID 55991293
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 56530291
N-(2,5-dimethoxyphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 31305972
N-butyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 51161883
N-[(1S,2R)-2-ethylcyclopropyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 95628026
2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide
CID 24588779
N-(4-nitrophenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55538779
N-cyclopropyl-2-(3-phenoxypropanoylamino)benzamide
CID 26906047
N-cyclopropyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzamide
CID 27995227

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide (CID 30656166) is N-cyclopropyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide is O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide?
The InChIKey is WXNSIUWFRUAYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-21(25-20-9-5-4-8-18(20)23(30)24-17-10-11-17)12-13-22(29)27-15-14-19(26-27)16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,24,30)(H,25,28).
What are the key properties of N-cyclopropyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide?
N-cyclopropyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide has a molecular weight of 404.47 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]benzamide is sourced from PubChem (CID 30656166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).