tert-butyl 3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C17H25N3O4 — CID 166828079

IUPACtert-butyl 3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC1COC(=O)C(c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)C1
InChIInChI=1S/C17H25N3O4/c1-11-7-12(15(21)23-10-11)13-8-18-20-6-5-19(9-14(13)20)16(22)24-17(2,3)4/h8,11-12H,5-7,9-10H2,1-4H3
InChIKeyVOUAHBDZJMQXCZ-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.30
Rot. Bonds1

About tert-butyl 3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

tert-butyl 3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 166828079) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is tert-butyl 3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID166828079
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Nametert-butyl 3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC1COC(=O)C(c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)C1
InChIInChI=1S/C17H25N3O4/c1-11-7-12(15(21)23-10-11)13-8-18-20-6-5-19(9-14(13)20)16(22)24-17(2,3)4/h8,11-12H,5-7,9-10H2,1-4H3
InChIKeyVOUAHBDZJMQXCZ-UHFFFAOYSA-N
XLogP2.30
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate with MolForge

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Related Compounds

tert-butyl methyl(2-(methyl((3-(1-(3-methylbutanoyl)piperidin-4-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl)methyl)amino)ethyl)carbamate
CID 90462682
tert-butyl N-methyl-N-[2-[methyl-[[3-[1-(3-methylbutanoyl)piperidin-4-yl]-1-[(2R)-oxan-2-yl]pyrazol-4-yl]methyl]amino]ethyl]carbamate
CID 90463542
(6S)-3-(4-amino-1-methoxy-1-oxobutan-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 121483885
tert-butyl 3-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419960
tert-butyl (6S)-3-(3-amino-1-methoxycarbonyl-propyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122420062
tert-butyl (6S)-3-(1-methoxycarbonyl-3-nitro-propyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 131749258
tert-butyl (6S)-3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 134250441
4-[(6S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxooxolane-2-carboxylic acid
CID 140734140
tert-butyl (6S)-3-[5-(hydroxymethyl)-2-oxooxolan-3-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 140734143
tert-butyl (6S)-6-methyl-3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 140947573
5-tert-Butyl 7-ethyl 2-methyl-6,7-dihydro-2H-pyrazolo[4,3-c]pyridine-5,7(4H)-dicarboxylate
CID 154729907
5-tert-butyl 7-ethyl 1-methyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5,7(4H)-dicarboxylate
CID 156621195

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 166828079) is tert-butyl 3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CC1COC(=O)C(c2cnn3c2CN(C(=O)OC(C)(C)C)CC3)C1.
What is the InChIKey of tert-butyl 3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is VOUAHBDZJMQXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-11-7-12(15(21)23-10-11)13-8-18-20-6-5-19(9-14(13)20)16(22)24-17(2,3)4/h8,11-12H,5-7,9-10H2,1-4H3.
What are the key properties of tert-butyl 3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 166828079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).