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

C23H27N3O3 — CID 55579267

IUPACN-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C23H27N3O3/c1-17(19-11-7-8-12-21(19)29-3)25(2)22(27)13-14-23(28)26-16-15-20(24-26)18-9-5-4-6-10-18/h4-12,17H,13-16H2,1-3H3
InChIKeyWLQPEEOIZCEXAF-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.63
Rot. Bonds7

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

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide (PubChem CID 55579267) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
PubChem CID55579267
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C23H27N3O3/c1-17(19-11-7-8-12-21(19)29-3)25(2)22(27)13-14-23(28)26-16-15-20(24-26)18-9-5-4-6-10-18/h4-12,17H,13-16H2,1-3H3
InChIKeyWLQPEEOIZCEXAF-UHFFFAOYSA-N
XLogP3.63
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
(2-ethoxyphenyl)methyl 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate
CID 55311397
N-(5-methylhexan-2-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 134035790
N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 55440043
2-[(2-methoxyphenyl)methylsulfonyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 86989540
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 60569276
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844659
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 8810512
N-[1-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 51164409
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione
CID 55547857
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(2-propoxyphenyl)butanamide
CID 30236494

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide (CID 55579267) is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide is COc1ccccc1C(C)N(C)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The InChIKey is WLQPEEOIZCEXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17(19-11-7-8-12-21(19)29-3)25(2)22(27)13-14-23(28)26-16-15-20(24-26)18-9-5-4-6-10-18/h4-12,17H,13-16H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide has a molecular weight of 393.49 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide is sourced from PubChem (CID 55579267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).