ethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate

C17H26N6O3 — CID 91960393

IUPACethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCn2ncc3c2c(C)nn3CC)CC1
InChIInChI=1S/C17H26N6O3/c1-4-22-14-12-18-23(16(14)13(3)19-22)7-6-15(24)20-8-10-21(11-9-20)17(25)26-5-2/h12H,4-11H2,1-3H3
InChIKeyVZSBUJJDMCBPDL-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.25
Rot. Bonds5

About ethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate

ethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate (PubChem CID 91960393) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate
PubChem CID91960393
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC Nameethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CCn2ncc3c2c(C)nn3CC)CC1
InChIInChI=1S/C17H26N6O3/c1-4-22-14-12-18-23(16(14)13(3)19-22)7-6-15(24)20-8-10-21(11-9-20)17(25)26-5-2/h12H,4-11H2,1-3H3
InChIKeyVZSBUJJDMCBPDL-UHFFFAOYSA-N
XLogP1.25
TPSA85.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate with MolForge

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Related Compounds

1-(azepan-1-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one
CID 91960396
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one
CID 91960385
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 91960246
N-[2-(diethylamino)ethyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960397
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 91960239
3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-1-(4-propan-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 91960490
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 91960231
N-benzyl-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
CID 91960421
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960418
1-[3-(4-ethoxycarbonylpiperazin-1-yl)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470622
ethyl 4-(3-pyrrol-1-ylpropanoyl)piperazine-1-carboxylate
CID 46343129
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(3-ethoxypropyl)propanamide
CID 91960218

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate (CID 91960393) is ethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CCn2ncc3c2c(C)nn3CC)CC1.
What is the InChIKey of ethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate?
The InChIKey is VZSBUJJDMCBPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3/c1-4-22-14-12-18-23(16(14)13(3)19-22)7-6-15(24)20-8-10-21(11-9-20)17(25)26-5-2/h12H,4-11H2,1-3H3.
What are the key properties of ethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate?
ethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 91960393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).