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

C17H27N3O4 — CID 134250441

IUPACtert-butyl (6S)-3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCOC(=O)C(C)(C)c1cnn2c1CN(C(=O)OC(C)(C)C)[C@@H](C)C2
InChIInChI=1S/C17H27N3O4/c1-11-9-20-13(10-19(11)15(22)24-16(2,3)4)12(8-18-20)17(5,6)14(21)23-7/h8,11H,9-10H2,1-7H3/t11-/m0/s1
InChIKeySBEATPGHTZZWPV-NSHDSACASA-N
MW337.42 g/mol
LogP2.47
Rot. Bonds2

About 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

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 (PubChem CID 134250441) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-butyl (6S)-3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID134250441
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Nametert-butyl (6S)-3-(1-methoxy-2-methyl-1-oxopropan-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCOC(=O)C(C)(C)c1cnn2c1CN(C(=O)OC(C)(C)C)[C@@H](C)C2
InChIInChI=1S/C17H27N3O4/c1-11-9-20-13(10-19(11)15(22)24-16(2,3)4)12(8-18-20)17(5,6)14(21)23-7/h8,11H,9-10H2,1-7H3/t11-/m0/s1
InChIKeySBEATPGHTZZWPV-NSHDSACASA-N
XLogP2.47
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)C(C)(C)c1cnn2c1CN(C(=O)OC(C)(C)C)[C@@H](C)C2.
What is the InChIKey of 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?
The InChIKey is SBEATPGHTZZWPV-NSHDSACASA-N. The full InChI is InChI=1S/C17H27N3O4/c1-11-9-20-13(10-19(11)15(22)24-16(2,3)4)12(8-18-20)17(5,6)14(21)23-7/h8,11H,9-10H2,1-7H3/t11-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 337.42 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134250441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).