N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide

C16H21N3O2 — CID 35525612

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCn1nc(C)cc1C
InChIInChI=1S/C16H21N3O2/c1-4-21-15-8-6-5-7-14(15)16(20)17-9-10-19-13(3)11-12(2)18-19/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyAPYADEPORNBWLW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.33
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide (PubChem CID 35525612) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide
PubChem CID35525612
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCn1nc(C)cc1C
InChIInChI=1S/C16H21N3O2/c1-4-21-15-8-6-5-7-14(15)16(20)17-9-10-19-13(3)11-12(2)18-19/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyAPYADEPORNBWLW-UHFFFAOYSA-N
XLogP2.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 7444942
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2,6-dimethoxybenzamide
CID 35525595
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-ethoxybenzamide
CID 19294449
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78816299
2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]benzoic acid
CID 43532474
2-[4-(aminomethyl)imidazol-1-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 110121943
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxy-1-methyl-6-oxopyridine-3-carboxamide
CID 121016938
2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588583
N-[(2S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 7613435
2-ethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905515
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-ethoxybenzamide
CID 122265531

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide (CID 35525612) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCCn1nc(C)cc1C.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide?
The InChIKey is APYADEPORNBWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-21-15-8-6-5-7-14(15)16(20)17-9-10-19-13(3)11-12(2)18-19/h5-8,11H,4,9-10H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide has a molecular weight of 287.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethoxybenzamide is sourced from PubChem (CID 35525612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).