1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine

C12H12BrN3 — CID 83904565

IUPAC1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESBrc1ccccc1-n1ncc2c1CNCC2
InChIInChI=1S/C12H12BrN3/c13-10-3-1-2-4-11(10)16-12-8-14-6-5-9(12)7-15-16/h1-4,7,14H,5-6,8H2
InChIKeyUQVAJTKHNOYLDT-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.28
Rot. Bonds1

About 1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine

1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 83904565) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID83904565
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESBrc1ccccc1-n1ncc2c1CNCC2
InChIInChI=1S/C12H12BrN3/c13-10-3-1-2-4-11(10)16-12-8-14-6-5-9(12)7-15-16/h1-4,7,14H,5-6,8H2
InChIKeyUQVAJTKHNOYLDT-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 83904563
1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
CID 84647553
2-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)aniline
CID 105452879
1-phenyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine
CID 84679841
1-(2,3,4-trifluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586398
1-(2-bromophenyl)-4,5-dimethylpyrazole
CID 21033983
3-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a][1,4]benzodiazepine
CID 59613611
[5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol
CID 77174643
1-(2-bromophenyl)-5-chloropyrazol-4-amine
CID 115050693
4-bromo-1-(2-bromophenyl)-5-(trifluoromethyl)pyrazole
CID 43542859
1-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586425
1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 105459588

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of 1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine (CID 83904565) is 1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for 1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for 1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine is Brc1ccccc1-n1ncc2c1CNCC2.
What is the InChIKey of 1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is UQVAJTKHNOYLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c13-10-3-1-2-4-11(10)16-12-8-14-6-5-9(12)7-15-16/h1-4,7,14H,5-6,8H2.
What are the key properties of 1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine has a molecular weight of 278.15 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 83904565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).