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

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

tert-butyl (6S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-carbamoyl-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 145440386) has the molecular formula C23H39N5O5Si and a molecular weight of 493.68 g/mol. Its IUPAC name is tert-butyl (6S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-carbamoyl-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Name	tert-butyl (6S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-carbamoyl-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID	145440386
Molecular Formula	C23H39N5O5Si
Molecular Weight	493.68 g/mol
Exact Mass	493.27
IUPAC Name	tert-butyl (6S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-carbamoyl-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILES	C[C@H]1Cn2ncc(N3CC(C(N)=O)C(O[Si](C)(C)C(C)(C)C)C3=O)c2CN1C(=O)OC(C)(C)C
InChI	InChI=1S/C23H39N5O5Si/c1-14-11-28-17(13-26(14)21(31)32-22(2,3)4)16(10-25-28)27-12-15(19(24)29)18(20(27)30)33-34(8,9)23(5,6)7/h10,14-15,18H,11-13H2,1-9H3,(H2,24,29)/t14-,15?,18?/m0/s1
InChIKey	JGWPWNNUIRJFOH-SYJJWHGVSA-N
XLogP	2.86
TPSA	119.99 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.68
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-carbamoyl-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?

The IUPAC name of tert-butyl (6S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-carbamoyl-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 145440386) is tert-butyl (6S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-carbamoyl-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

What is the SMILES notation for tert-butyl (6S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-carbamoyl-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?

The canonical SMILES for tert-butyl (6S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-carbamoyl-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is C[C@H]1Cn2ncc(N3CC(C(N)=O)C(O[Si](C)(C)C(C)(C)C)C3=O)c2CN1C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl (6S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-carbamoyl-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?

The InChIKey is JGWPWNNUIRJFOH-SYJJWHGVSA-N. The full InChI is InChI=1S/C23H39N5O5Si/c1-14-11-28-17(13-26(14)21(31)32-22(2,3)4)16(10-25-28)27-12-15(19(24)29)18(20(27)30)33-34(8,9)23(5,6)7/h10,14-15,18H,11-13H2,1-9H3,(H2,24,29)/t14-,15?,18?/m0/s1.

What are the key properties of tert-butyl (6S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-carbamoyl-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?

tert-butyl (6S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-carbamoyl-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 493.68 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (6S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-carbamoyl-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 145440386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).