5-bromo-1-pyrazol-1-ylisoquinoline

C12H8BrN3 — CID 106543663

IUPAC5-bromo-1-pyrazol-1-ylisoquinoline
SMILESBrc1cccc2c(-n3cccn3)nccc12
InChIInChI=1S/C12H8BrN3/c13-11-4-1-3-10-9(11)5-7-14-12(10)16-8-2-6-15-16/h1-8H
InChIKeyVCZGSQGHVLWHAC-UHFFFAOYSA-N
MW274.12 g/mol
LogP3.18
Rot. Bonds1

About 5-bromo-1-pyrazol-1-ylisoquinoline

5-bromo-1-pyrazol-1-ylisoquinoline (PubChem CID 106543663) has the molecular formula C12H8BrN3 and a molecular weight of 274.12 g/mol. Its IUPAC name is 5-bromo-1-pyrazol-1-ylisoquinoline.

Molecular Properties

Compound Name5-bromo-1-pyrazol-1-ylisoquinoline
PubChem CID106543663
Molecular FormulaC12H8BrN3
Molecular Weight274.12 g/mol
Exact Mass272.99
IUPAC Name5-bromo-1-pyrazol-1-ylisoquinoline
SMILESBrc1cccc2c(-n3cccn3)nccc12
InChIInChI=1S/C12H8BrN3/c13-11-4-1-3-10-9(11)5-7-14-12(10)16-8-2-6-15-16/h1-8H
InChIKeyVCZGSQGHVLWHAC-UHFFFAOYSA-N
XLogP3.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-Bromo-isoquinolin-1-yl)-guanidine
CID 44339233
2-(4-Bromophenyl)-[1,2,4]triazolo[1,5-b]isoquinoline
CID 168282952
1-Amino-5-bromoisoquinoline
CID 33778566
5-Bromoisoquinolin-3-amine
CID 53418447
8-Bromoisoquinolin-1-amine
CID 74892169
6-(3-Bromophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 57326909
6-(2-Bromophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 57326910
2-[5-(3-Bromophenyl)tetrazol-1-yl]pyridine
CID 155550090
2-(1H-pyrazol-1-yl)quinoline
CID 14387156
5-bromo-3-methyl-2-(1H-pyrazol-1-yl)pyridine hydrochloride
CID 121553575
4-bromo-N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
CID 71873759
3-Bromo-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine
CID 12018215

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-pyrazol-1-ylisoquinoline?
The IUPAC name of 5-bromo-1-pyrazol-1-ylisoquinoline (CID 106543663) is 5-bromo-1-pyrazol-1-ylisoquinoline.
What is the SMILES notation for 5-bromo-1-pyrazol-1-ylisoquinoline?
The canonical SMILES for 5-bromo-1-pyrazol-1-ylisoquinoline is Brc1cccc2c(-n3cccn3)nccc12.
What is the InChIKey of 5-bromo-1-pyrazol-1-ylisoquinoline?
The InChIKey is VCZGSQGHVLWHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3/c13-11-4-1-3-10-9(11)5-7-14-12(10)16-8-2-6-15-16/h1-8H.
What are the key properties of 5-bromo-1-pyrazol-1-ylisoquinoline?
5-bromo-1-pyrazol-1-ylisoquinoline has a molecular weight of 274.12 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-pyrazol-1-ylisoquinoline is sourced from PubChem (CID 106543663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).