2-ethoxy-1-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone

C15H21N5O2 — CID 131649346

IUPAC2-ethoxy-1-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
SMILESCCOCC(=O)N1Cc2nccn2CC(Cn2cccn2)C1
InChIInChI=1S/C15H21N5O2/c1-2-22-12-15(21)19-9-13(10-20-6-3-4-17-20)8-18-7-5-16-14(18)11-19/h3-7,13H,2,8-12H2,1H3
InChIKeyZAAIZYMZDGBJPU-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.77
Rot. Bonds5

About 2-ethoxy-1-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone

2-ethoxy-1-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone (PubChem CID 131649346) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-ethoxy-1-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
PubChem CID131649346
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2-ethoxy-1-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
SMILESCCOCC(=O)N1Cc2nccn2CC(Cn2cccn2)C1
InChIInChI=1S/C15H21N5O2/c1-2-22-12-15(21)19-9-13(10-20-6-3-4-17-20)8-18-7-5-16-14(18)11-19/h3-7,13H,2,8-12H2,1H3
InChIKeyZAAIZYMZDGBJPU-UHFFFAOYSA-N
XLogP0.77
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methoxy-1-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]ethanone
CID 97390227
N-[2-oxo-2-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
CID 118741151
1-(9-Ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl)-2-pyrazol-1-ylethanone
CID 132335079
1-[9-ethyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl]-3-(1H-pyrazol-1-yl)-1-propanone
CID 124049457
1-[9-(Propan-2-YL)-5H,6H,7H,8H,9H-imidazo[1,2-A][1,4]diazepin-8-YL]-3-(1H-pyrazol-1-YL)propan-1-one
CID 124049513
N-[1-(3-imidazol-1-ylpropyl)pyrazol-3-yl]-2-propan-2-yloxyacetamide
CID 71875513
N-(2-(1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)-2-ethoxyacetamide
CID 76148216
3-Methoxy-1-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]propan-1-one
CID 97467115
6-(Methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 131642436
8-[(1-Methylpyrazol-4-yl)methyl]-6-(prop-2-enoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 131647251
6-(Pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 131655982
N,N-dimethyl-2-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxy]acetamide
CID 134076021

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone (CID 131649346) is 2-ethoxy-1-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone is CCOCC(=O)N1Cc2nccn2CC(Cn2cccn2)C1.
What is the InChIKey of 2-ethoxy-1-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone?
The InChIKey is ZAAIZYMZDGBJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-2-22-12-15(21)19-9-13(10-20-6-3-4-17-20)8-18-7-5-16-14(18)11-19/h3-7,13H,2,8-12H2,1H3.
What are the key properties of 2-ethoxy-1-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone?
2-ethoxy-1-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone has a molecular weight of 303.37 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone is sourced from PubChem (CID 131649346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).