2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide

C16H25N5O — CID 46988665

IUPAC2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide
SMILESCCc1nccn1CC(=O)Nc1cc(C)nn1CCC(C)C
InChIInChI=1S/C16H25N5O/c1-5-14-17-7-9-20(14)11-16(22)18-15-10-13(4)19-21(15)8-6-12(2)3/h7,9-10,12H,5-6,8,11H2,1-4H3,(H,18,22)
InChIKeyKMKNDXCKAIVOKZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.64
Rot. Bonds7

About 2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide

2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide (PubChem CID 46988665) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide
PubChem CID46988665
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide
SMILESCCc1nccn1CC(=O)Nc1cc(C)nn1CCC(C)C
InChIInChI=1S/C16H25N5O/c1-5-14-17-7-9-20(14)11-16(22)18-15-10-13(4)19-21(15)8-6-12(2)3/h7,9-10,12H,5-6,8,11H2,1-4H3,(H,18,22)
InChIKeyKMKNDXCKAIVOKZ-UHFFFAOYSA-N
XLogP2.64
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 91911715
N-(3-imidazolylpropyl)-2-(5-methyl-3-nitropyrazolyl)acetamide
CID 3106249
N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 46983158
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-imidazol-1-ylacetamide
CID 46988872
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methylimidazol-1-yl)acetamide
CID 46990430
2-(4-methylimidazol-1-yl)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)acetamide
CID 46996097
N-(2,5-dimethylpyrazol-3-yl)-2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53571503
N-(2,5-dimethylpyrazol-3-yl)-2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide
CID 53572102
2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 53592824
2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(2-propylpyrazol-3-yl)acetamide
CID 53596665
2-(3,5-Dimethylpyrazol-1-yl)-1-[4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53605638
N-(2,5-dimethylpyrazol-3-yl)-2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 53609081

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide (CID 46988665) is 2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide is CCc1nccn1CC(=O)Nc1cc(C)nn1CCC(C)C.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide?
The InChIKey is KMKNDXCKAIVOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-5-14-17-7-9-20(14)11-16(22)18-15-10-13(4)19-21(15)8-6-12(2)3/h7,9-10,12H,5-6,8,11H2,1-4H3,(H,18,22).
What are the key properties of 2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide?
2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 46988665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).