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

C23H27N3O2 — CID 51164409

IUPACN-[1-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
SMILESCCc1ccc(C(C)NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1
InChIInChI=1S/C23H27N3O2/c1-3-18-9-11-19(12-10-18)17(2)24-22(27)13-14-23(28)26-16-15-21(25-26)20-7-5-4-6-8-20/h4-12,17H,3,13-16H2,1-2H3,(H,24,27)
InChIKeyMXVMNMTZRDJGQP-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.84
Rot. Bonds7

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

N-[1-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide (PubChem CID 51164409) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
PubChem CID51164409
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
SMILESCCc1ccc(C(C)NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1
InChIInChI=1S/C23H27N3O2/c1-3-18-9-11-19(12-10-18)17(2)24-22(27)13-14-23(28)26-16-15-21(25-26)20-7-5-4-6-8-20/h4-12,17H,3,13-16H2,1-2H3,(H,24,27)
InChIKeyMXVMNMTZRDJGQP-UHFFFAOYSA-N
XLogP3.84
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 24640207
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 25388353
4-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55867468
N-(5-methylhexan-2-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 134035790
N-[2-(diethylamino)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55346332
N-[(1S,2R)-2-ethylcyclopropyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 95628026
3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide
CID 126458708
N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 32906651
N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 97020312
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
N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18108648

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide (CID 51164409) is N-[1-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide is CCc1ccc(C(C)NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The InChIKey is MXVMNMTZRDJGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-18-9-11-19(12-10-18)17(2)24-22(27)13-14-23(28)26-16-15-21(25-26)20-7-5-4-6-8-20/h4-12,17H,3,13-16H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
N-[1-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide has a molecular weight of 377.49 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide is sourced from PubChem (CID 51164409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).