N,N,4-trimethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide

C21H23N3O3 — CID 86992217

IUPACN,N,4-trimethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1OCC(=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C21H23N3O3/c1-15-9-10-17(21(26)23(2)3)13-19(15)27-14-20(25)24-12-11-18(22-24)16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3
InChIKeyPTQNLUFYJPFNHY-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.71
Rot. Bonds5

About N,N,4-trimethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide

N,N,4-trimethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide (PubChem CID 86992217) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N,N,4-trimethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide.

Molecular Properties

Compound NameN,N,4-trimethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide
PubChem CID86992217
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN,N,4-trimethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1OCC(=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C21H23N3O3/c1-15-9-10-17(21(26)23(2)3)13-19(15)27-14-20(25)24-12-11-18(22-24)16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3
InChIKeyPTQNLUFYJPFNHY-UHFFFAOYSA-N
XLogP2.71
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 134036179
2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 134011024
2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 7531928
N-[2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]phenyl]acetamide
CID 51075010
2-(2-benzylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 26001928
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844659
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-(4-methylphenoxy)propanoate
CID 9139605
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2,5-dimethoxybenzoate
CID 7587084
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-hydroxy-4-methylbenzoate
CID 7568609
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3,3-diphenylpropanoate
CID 8752568
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate
CID 7683295
(6-methyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 22605816

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide?
The IUPAC name of N,N,4-trimethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide (CID 86992217) is N,N,4-trimethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide.
What is the SMILES notation for N,N,4-trimethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide?
The canonical SMILES for N,N,4-trimethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide is Cc1ccc(C(=O)N(C)C)cc1OCC(=O)N1CCC(c2ccccc2)=N1.
What is the InChIKey of N,N,4-trimethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide?
The InChIKey is PTQNLUFYJPFNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-9-10-17(21(26)23(2)3)13-19(15)27-14-20(25)24-12-11-18(22-24)16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3.
What are the key properties of N,N,4-trimethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide?
N,N,4-trimethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide has a molecular weight of 365.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide is sourced from PubChem (CID 86992217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).