tert-butyl 2-[4-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C24H33N5O4 — CID 166766319

IUPACtert-butyl 2-[4-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2nc(N3CCN(CC(=O)OCc4ccccc4)CC3)cc2C1
InChIInChI=1S/C24H33N5O4/c1-24(2,3)33-23(31)28-13-14-29-20(16-28)15-21(25-29)27-11-9-26(10-12-27)17-22(30)32-18-19-7-5-4-6-8-19/h4-8,15H,9-14,16-18H2,1-3H3
InChIKeyBKRARNIKERWURV-UHFFFAOYSA-N
MW455.56 g/mol
LogP2.50
Rot. Bonds5

About tert-butyl 2-[4-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

tert-butyl 2-[4-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 166766319) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is tert-butyl 2-[4-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[4-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID166766319
Molecular FormulaC24H33N5O4
Molecular Weight455.56 g/mol
Exact Mass455.25
IUPAC Nametert-butyl 2-[4-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2nc(N3CCN(CC(=O)OCc4ccccc4)CC3)cc2C1
InChIInChI=1S/C24H33N5O4/c1-24(2,3)33-23(31)28-13-14-29-20(16-28)15-21(25-29)27-11-9-26(10-12-27)17-22(30)32-18-19-7-5-4-6-8-19/h4-8,15H,9-14,16-18H2,1-3H3
InChIKeyBKRARNIKERWURV-UHFFFAOYSA-N
XLogP2.50
TPSA80.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

tritert-butyl 11-(2-oxo-2-phenylmethoxyethyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate
CID 25179082
methyl 2-[7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,10-bis(2-oxo-2-phenylmethoxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 118103309
tert-butyl 2-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121229919
benzyl 2-carbamoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 75365747
tert-butyl 2-anilino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 170328009
tert-butyl 4-[2-[bis(2-oxo-2-phenylmethoxyethyl)amino]ethyl]piperazine-1-carboxylate
CID 153393655
tert-butyl 2-(chloromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 130114897
benzyl 2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetate
CID 155095919
2-O-benzyl 1-O,4-O-ditert-butyl piperazine-1,2,4-tricarboxylate
CID 118427975
benzyl 2-[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]acetate
CID 101385594
benzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate
CID 67570184
benzyl 4-[2-cyano-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-pyridinyl]piperazine-1-carboxylate
CID 162494860

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 2-[4-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 166766319) is tert-butyl 2-[4-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 2-[4-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 2-[4-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CC(C)(C)OC(=O)N1CCn2nc(N3CCN(CC(=O)OCc4ccccc4)CC3)cc2C1.
What is the InChIKey of tert-butyl 2-[4-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is BKRARNIKERWURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-24(2,3)33-23(31)28-13-14-29-20(16-28)15-21(25-29)27-11-9-26(10-12-27)17-22(30)32-18-19-7-5-4-6-8-19/h4-8,15H,9-14,16-18H2,1-3H3.
What are the key properties of tert-butyl 2-[4-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 2-[4-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 455.56 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 166766319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).