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

C12H12BrN3 — CID 83904556

IUPAC3-bromo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESBrc1c(-c2ccccc2)nn2c1CNCC2
InChIInChI=1S/C12H12BrN3/c13-11-10-8-14-6-7-16(10)15-12(11)9-4-2-1-3-5-9/h1-5,14H,6-8H2
InChIKeyYGTOTZDHKQHFQN-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.42
Rot. Bonds1

About 3-bromo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

3-bromo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 83904556) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 3-bromo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-bromo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID83904556
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name3-bromo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESBrc1c(-c2ccccc2)nn2c1CNCC2
InChIInChI=1S/C12H12BrN3/c13-11-10-8-14-6-7-16(10)15-12(11)9-4-2-1-3-5-9/h1-5,14H,6-8H2
InChIKeyYGTOTZDHKQHFQN-UHFFFAOYSA-N
XLogP2.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine
CID 56972876
4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine
CID 170328030
2-(2-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 170327738
2-(3-chlorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327857
hydron;2-(2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride
CID 170327922
2-(4-ethylphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327906
2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327579
tert-butyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 169107925
1-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 96597401
2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 84670414
2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327849
2-(5-chloro-2-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 170327928

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 3-bromo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 83904556) is 3-bromo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 3-bromo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 3-bromo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is Brc1c(-c2ccccc2)nn2c1CNCC2.
What is the InChIKey of 3-bromo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is YGTOTZDHKQHFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c13-11-10-8-14-6-7-16(10)15-12(11)9-4-2-1-3-5-9/h1-5,14H,6-8H2.
What are the key properties of 3-bromo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
3-bromo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 278.15 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 83904556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).