2-cyclopropyl-5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C17H19N3O2S — CID 121020298

IUPAC2-cyclopropyl-5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCn2nc(C3CC3)cc2C1
InChIInChI=1S/C17H19N3O2S/c21-23(22,11-8-14-4-2-1-3-5-14)19-9-10-20-16(13-19)12-17(18-20)15-6-7-15/h1-5,8,11-12,15H,6-7,9-10,13H2/b11-8+
InChIKeyRONIXKFNGLHBOV-DHZHZOJOSA-N
MW329.43 g/mol
LogP2.58
Rot. Bonds4

About 2-cyclopropyl-5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

2-cyclopropyl-5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 121020298) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-cyclopropyl-5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID121020298
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-cyclopropyl-5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCn2nc(C3CC3)cc2C1
InChIInChI=1S/C17H19N3O2S/c21-23(22,11-8-14-4-2-1-3-5-14)19-9-10-20-16(13-19)12-17(18-20)15-6-7-15/h1-5,8,11-12,15H,6-7,9-10,13H2/b11-8+
InChIKeyRONIXKFNGLHBOV-DHZHZOJOSA-N
XLogP2.58
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine 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

[5-[(E)-2-phenylethenyl]sulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 91790425
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
11-(2-phenylethenylsulfonyl)-7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene
CID 171130614
1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
CID 877215
4-[(E)-2-phenylethenyl]sulfonylpiperazin-2-one
CID 2524566
(2-cyclopropyl-1,3-thiazol-5-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 86891303
(2R,3aR,6aR)-N-hydroxy-1-[(E)-2-phenylethenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
CID 10472196
2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121178824
1-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]azepane
CID 86900562
3-ethyl-7-[(E)-2-phenylethenyl]sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999583
4-ethyl-2-methyl-5-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]-1,2,4-triazol-3-one
CID 56714279
4-cyclopropyl-5-methyl-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-thione
CID 9235075

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-cyclopropyl-5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 121020298) is 2-cyclopropyl-5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-cyclopropyl-5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-cyclopropyl-5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is O=S(=O)(/C=C/c1ccccc1)N1CCn2nc(C3CC3)cc2C1.
What is the InChIKey of 2-cyclopropyl-5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is RONIXKFNGLHBOV-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-23(22,11-8-14-4-2-1-3-5-14)19-9-10-20-16(13-19)12-17(18-20)15-6-7-15/h1-5,8,11-12,15H,6-7,9-10,13H2/b11-8+.
What are the key properties of 2-cyclopropyl-5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
2-cyclopropyl-5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 329.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[(E)-2-phenylethenyl]sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121020298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).