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

C12H12BrN3 — CID 83904563

IUPAC1-(4-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESBrc1ccc(-n2ncc3c2CNCC3)cc1
InChIInChI=1S/C12H12BrN3/c13-10-1-3-11(4-2-10)16-12-8-14-6-5-9(12)7-15-16/h1-4,7,14H,5-6,8H2
InChIKeyYUJJBZQQPFKOAE-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.28
Rot. Bonds1

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

1-(4-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 83904563) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name1-(4-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID83904563
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name1-(4-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESBrc1ccc(-n2ncc3c2CNCC3)cc1
InChIInChI=1S/C12H12BrN3/c13-10-1-3-11(4-2-10)16-12-8-14-6-5-9(12)7-15-16/h1-4,7,14H,5-6,8H2
InChIKeyYUJJBZQQPFKOAE-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-(2-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 83904565
1-phenyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine
CID 84679841
1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 158250793
1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
CID 83886668
1-(4-bromophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586524
1-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586425
3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzaldehyde
CID 105484597
3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)aniline
CID 105467862
1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 105459588
5-bromo-1-(4-bromophenyl)pyrazole
CID 79020245
4-(4,5,6,7-tetrahydroindazol-1-yl)benzaldehyde
CID 105483954
7-bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of 1-(4-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine (CID 83904563) is 1-(4-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for 1-(4-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for 1-(4-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine is Brc1ccc(-n2ncc3c2CNCC3)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is YUJJBZQQPFKOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c13-10-1-3-11(4-2-10)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-(4-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine?
1-(4-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-(4-bromophenyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 83904563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).