2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide

C17H23N3O3 — CID 110716759

IUPAC2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCCn1nc(C)c(C)c1C
InChIInChI=1S/C17H23N3O3/c1-11-12(2)19-20(13(11)3)10-9-18-17(21)16-14(22-4)7-6-8-15(16)23-5/h6-8H,9-10H2,1-5H3,(H,18,21)
InChIKeyYPMIYEAWTDQZFW-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.26
Rot. Bonds6

About 2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide

2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide (PubChem CID 110716759) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
PubChem CID110716759
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCCn1nc(C)c(C)c1C
InChIInChI=1S/C17H23N3O3/c1-11-12(2)19-20(13(11)3)10-9-18-17(21)16-14(22-4)7-6-8-15(16)23-5/h6-8H,9-10H2,1-5H3,(H,18,21)
InChIKeyYPMIYEAWTDQZFW-UHFFFAOYSA-N
XLogP2.26
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2,6-dimethoxybenzamide
CID 35525595
2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716746
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 110716769
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 135097903
2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 35525598
2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 110716730
N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide
CID 77084306
2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905728
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxybenzamide
CID 19571806
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,6-dimethoxybenzamide
CID 110718737
3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 110716798

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide (CID 110716759) is 2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide is COc1cccc(OC)c1C(=O)NCCn1nc(C)c(C)c1C.
What is the InChIKey of 2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is YPMIYEAWTDQZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-12(2)19-20(13(11)3)10-9-18-17(21)16-14(22-4)7-6-8-15(16)23-5/h6-8H,9-10H2,1-5H3,(H,18,21).
What are the key properties of 2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide?
2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 317.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 110716759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).