2-bromo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C7H10BrN3 — CID 170730701

IUPAC2-bromo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCC1Cn2nc(Br)cc2CN1
InChIInChI=1S/C7H10BrN3/c1-5-4-11-6(3-9-5)2-7(8)10-11/h2,5,9H,3-4H2,1H3
InChIKeyUMVWSJHAUUIJRW-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.14
Rot. Bonds

About 2-bromo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-bromo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 170730701) has the molecular formula C7H10BrN3 and a molecular weight of 216.08 g/mol. Its IUPAC name is 2-bromo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-bromo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID170730701
Molecular FormulaC7H10BrN3
Molecular Weight216.08 g/mol
Exact Mass215.01
IUPAC Name2-bromo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCC1Cn2nc(Br)cc2CN1
InChIInChI=1S/C7H10BrN3/c1-5-4-11-6(3-9-5)2-7(8)10-11/h2,5,9H,3-4H2,1H3
InChIKeyUMVWSJHAUUIJRW-UHFFFAOYSA-N
XLogP1.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-2-bromo-4,6-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 170327974
2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 84670414
(3S)-3,7-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 143883663
6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
CID 171035213
2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid
CID 84657825
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 167869461
3-[4-(2,2-difluoroethoxy)-2-pyridinyl]-5-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-oxadiazole
CID 167800095
(6S)-3-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 160897353
(7S)-11-bromo-7-methyl-4,6,9,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
CID 167497478
1-(3-bromo-2-pyridinyl)-3-methylpiperazine
CID 62478564
(3S)-1-(6-bromo-4-chloro-2-pyridinyl)-3-methylpiperazine
CID 178042521
7-bromo-3-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82249511

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-bromo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 170730701) is 2-bromo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-bromo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-bromo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is CC1Cn2nc(Br)cc2CN1.
What is the InChIKey of 2-bromo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is UMVWSJHAUUIJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3/c1-5-4-11-6(3-9-5)2-7(8)10-11/h2,5,9H,3-4H2,1H3.
What are the key properties of 2-bromo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-bromo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 216.08 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 170730701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).