tert-butyl 2-bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C11H16BrN3O2 — CID 71090280

IUPACtert-butyl 2-bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2nc(Br)cc2C1
InChIInChI=1S/C11H16BrN3O2/c1-11(2,3)17-10(16)14-4-5-15-8(7-14)6-9(12)13-15/h6H,4-5,7H2,1-3H3
InChIKeyHGPLEIGGSVUWAZ-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.40
Rot. Bonds

About tert-butyl 2-bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

tert-butyl 2-bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 71090280) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is tert-butyl 2-bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID71090280
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Nametert-butyl 2-bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2nc(Br)cc2C1
InChIInChI=1S/C11H16BrN3O2/c1-11(2,3)17-10(16)14-4-5-15-8(7-14)6-9(12)13-15/h6H,4-5,7H2,1-3H3
InChIKeyHGPLEIGGSVUWAZ-UHFFFAOYSA-N
XLogP2.40
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Boc-4,5,6,7-tetrahydro-pyrazolo[1,5-A]pyrazine
CID 58440750
3-Bromo-6,7-dihydro-4H-pyrazolo(1,5-a)pyrazine-5-carboxylic acid tert-butyl ester
CID 72212688
tert-butyl ((5-bromo-1-methyl-1H-pyrazol-3-yl)methyl)carbamate
CID 155641229
tert-Butyl 3-bromo-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate
CID 129949322
tert-butyl 3-bromo-6-methyl-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazine-5-carboxylate
CID 130794219
Tert-butyl 2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methyl]morpholine-4-carboxylate
CID 168844056
Tert-butyl 2-[[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]methyl]morpholine-4-carboxylate
CID 168844423
Tert-butyl 4-[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 178042967
Tert-butyl 4-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 178043022
Tert-butyl 4-[(3-bromo-5-methylpyrazol-1-yl)methyl]-4-fluoropiperidine-1-carboxylate
CID 178043051
Tert-butyl 2-methyl-6,7-dihydropyrazolo[1,5-A]pyrazine-5(4H)-carboxylate
CID 58440837
Tert-butyl 4-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperazine-1-carboxylate
CID 89677021

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 2-bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 71090280) is tert-butyl 2-bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 2-bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 2-bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CC(C)(C)OC(=O)N1CCn2nc(Br)cc2C1.
What is the InChIKey of tert-butyl 2-bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is HGPLEIGGSVUWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-11(2,3)17-10(16)14-4-5-15-8(7-14)6-9(12)13-15/h6H,4-5,7H2,1-3H3.
What are the key properties of tert-butyl 2-bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 2-bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 302.17 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-bromo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 71090280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).