4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-pyrrol-1-ylphenyl)butanamide

C23H22N4O2 — CID 55572353

IUPAC4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-pyrrol-1-ylphenyl)butanamide
SMILESO=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C23H22N4O2/c28-22(24-19-9-6-10-20(17-19)26-14-4-5-15-26)11-12-23(29)27-16-13-21(25-27)18-7-2-1-3-8-18/h1-10,14-15,17H,11-13,16H2,(H,24,28)
InChIKeyUGZXIXIGCGXHMR-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.83
Rot. Bonds6

About 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-pyrrol-1-ylphenyl)butanamide

4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-pyrrol-1-ylphenyl)butanamide (PubChem CID 55572353) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-pyrrol-1-ylphenyl)butanamide.

Molecular Properties

Compound Name4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-pyrrol-1-ylphenyl)butanamide
PubChem CID55572353
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-pyrrol-1-ylphenyl)butanamide
SMILESO=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C23H22N4O2/c28-22(24-19-9-6-10-20(17-19)26-14-4-5-15-26)11-12-23(29)27-16-13-21(25-27)18-7-2-1-3-8-18/h1-10,14-15,17H,11-13,16H2,(H,24,28)
InChIKeyUGZXIXIGCGXHMR-UHFFFAOYSA-N
XLogP3.83
TPSA66.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-anilinophenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18292961
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 56530291
N-(4-nitrophenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55538779
1-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]amino]-3-phenylthiourea
CID 24644050
N-[4-(ethylsulfonylamino)-3-methylphenyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55947302
N-(2-chloro-4-methylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 25481606
[2-(3,5-dimethylanilino)-2-oxoethyl] 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate
CID 7683360
N-cyclopentyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18106168
N-[(3-chlorophenyl)methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 17445323
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-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18108648

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-pyrrol-1-ylphenyl)butanamide?
The IUPAC name of 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-pyrrol-1-ylphenyl)butanamide (CID 55572353) is 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-pyrrol-1-ylphenyl)butanamide.
What is the SMILES notation for 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-pyrrol-1-ylphenyl)butanamide?
The canonical SMILES for 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-pyrrol-1-ylphenyl)butanamide is O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc(-n2cccc2)c1.
What is the InChIKey of 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-pyrrol-1-ylphenyl)butanamide?
The InChIKey is UGZXIXIGCGXHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-22(24-19-9-6-10-20(17-19)26-14-4-5-15-26)11-12-23(29)27-16-13-21(25-27)18-7-2-1-3-8-18/h1-10,14-15,17H,11-13,16H2,(H,24,28).
What are the key properties of 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-pyrrol-1-ylphenyl)butanamide?
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-pyrrol-1-ylphenyl)butanamide has a molecular weight of 386.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(3-pyrrol-1-ylphenyl)butanamide is sourced from PubChem (CID 55572353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).