(2R)-2-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylhexanamide

C15H27N3O — CID 35520817

IUPAC(2R)-2-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylhexanamide
SMILESCCCC[C@@H](CC)C(=O)N(C)Cc1ccnn1CC
InChIInChI=1S/C15H27N3O/c1-5-8-9-13(6-2)15(19)17(4)12-14-10-11-16-18(14)7-3/h10-11,13H,5-9,12H2,1-4H3/t13-/m1/s1
InChIKeyVZCKXQQONNWYQW-CYBMUJFWSA-N
MW265.40 g/mol
LogP3.08
Rot. Bonds8

About (2R)-2-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylhexanamide

(2R)-2-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylhexanamide (PubChem CID 35520817) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylhexanamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylhexanamide
PubChem CID35520817
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(2R)-2-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylhexanamide
SMILESCCCC[C@@H](CC)C(=O)N(C)Cc1ccnn1CC
InChIInChI=1S/C15H27N3O/c1-5-8-9-13(6-2)15(19)17(4)12-14-10-11-16-18(14)7-3/h10-11,13H,5-9,12H2,1-4H3/t13-/m1/s1
InChIKeyVZCKXQQONNWYQW-CYBMUJFWSA-N
XLogP3.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
CID 19536019
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-phenylacetamide
CID 19454252
4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 122143622
N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
CID 19454341
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-phenylbutanamide
CID 35520918
N-[(2-ethylpyrazol-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 35520802
N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 19278025
2-(4-chloropyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,2-dimethylpropanamide
CID 19454404
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19454265
2-ethyl-N,N-dimethylhexanamide
CID 3019000
2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19454239
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 19477847

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylhexanamide?
The IUPAC name of (2R)-2-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylhexanamide (CID 35520817) is (2R)-2-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylhexanamide.
What is the SMILES notation for (2R)-2-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylhexanamide?
The canonical SMILES for (2R)-2-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylhexanamide is CCCC[C@@H](CC)C(=O)N(C)Cc1ccnn1CC.
What is the InChIKey of (2R)-2-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylhexanamide?
The InChIKey is VZCKXQQONNWYQW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-8-9-13(6-2)15(19)17(4)12-14-10-11-16-18(14)7-3/h10-11,13H,5-9,12H2,1-4H3/t13-/m1/s1.
What are the key properties of (2R)-2-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylhexanamide?
(2R)-2-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylhexanamide has a molecular weight of 265.40 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylhexanamide is sourced from PubChem (CID 35520817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).