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

C18H27N3O4 — CID 140947573

IUPACtert-butyl (6S)-6-methyl-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)[C@@H](C)C3)C1
InChIInChI=1S/C18H27N3O4/c1-11-6-13(16(22)24-10-11)14-7-19-21-8-12(2)20(9-15(14)21)17(23)25-18(3,4)5/h7,11-13H,6,8-10H2,1-5H3/t11?,12-,13?/m0/s1
InChIKeyRCYHSUUFWJAWMK-CPCZMJQVSA-N
MW349.43 g/mol
LogP2.69
Rot. Bonds1

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

tert-butyl (6S)-6-methyl-3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 140947573) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is tert-butyl (6S)-6-methyl-3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl (6S)-6-methyl-3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID140947573
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Nametert-butyl (6S)-6-methyl-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)[C@@H](C)C3)C1
InChIInChI=1S/C18H27N3O4/c1-11-6-13(16(22)24-10-11)14-7-19-21-8-12(2)20(9-15(14)21)17(23)25-18(3,4)5/h7,11-13H,6,8-10H2,1-5H3/t11?,12-,13?/m0/s1
InChIKeyRCYHSUUFWJAWMK-CPCZMJQVSA-N
XLogP2.69
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-6-methyl-3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of 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) is tert-butyl (6S)-6-methyl-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 (6S)-6-methyl-3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl (6S)-6-methyl-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)[C@@H](C)C3)C1.
What is the InChIKey of tert-butyl (6S)-6-methyl-3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is RCYHSUUFWJAWMK-CPCZMJQVSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-11-6-13(16(22)24-10-11)14-7-19-21-8-12(2)20(9-15(14)21)17(23)25-18(3,4)5/h7,11-13H,6,8-10H2,1-5H3/t11?,12-,13?/m0/s1.
What are the key properties of tert-butyl (6S)-6-methyl-3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl (6S)-6-methyl-3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6S)-6-methyl-3-(5-methyl-2-oxooxan-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 140947573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).