2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone

C16H13N3O — CID 103124878

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
SMILESO=C(CC1Cc2ccccc21)c1cnn2ccncc12
InChIInChI=1S/C16H13N3O/c20-16(8-12-7-11-3-1-2-4-13(11)12)14-9-18-19-6-5-17-10-15(14)19/h1-6,9-10,12H,7-8H2
InChIKeyVCCMIKBROUJISF-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.64
Rot. Bonds3

About 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone (PubChem CID 103124878) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
PubChem CID103124878
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
SMILESO=C(CC1Cc2ccccc21)c1cnn2ccncc12
InChIInChI=1S/C16H13N3O/c20-16(8-12-7-11-3-1-2-4-13(11)12)14-9-18-19-6-5-17-10-15(14)19/h1-6,9-10,12H,7-8H2
InChIKeyVCCMIKBROUJISF-UHFFFAOYSA-N
XLogP2.64
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124629
1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one
CID 103123919
1-(2-aminophenyl)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethanone
CID 66417221
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-iodophenyl)ethanone
CID 115780262
2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103125577
3-cyclopentyl-1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-one
CID 114192929
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-quinoxalin-5-ylethanone
CID 105112421
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124105
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone
CID 103124948
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone
CID 116612545
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(furan-3-yl)ethanone
CID 66419755

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone (CID 103124878) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone is O=C(CC1Cc2ccccc21)c1cnn2ccncc12.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The InChIKey is VCCMIKBROUJISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16(8-12-7-11-3-1-2-4-13(11)12)14-9-18-19-6-5-17-10-15(14)19/h1-6,9-10,12H,7-8H2.
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone has a molecular weight of 263.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone is sourced from PubChem (CID 103124878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).